Identification

Name
Coenzyme A
Accession Number
DB01992  (EXPT00991)
Type
Small Molecule
Groups
Investigational, Nutraceutical
Description

Coenzyme A (CoA, CoASH, or HSCoA) is a coenzyme, notable for its role in the synthesis and oxidation of fatty acids, and the oxidation of pyruvate in the citric acid cycle. All genomes sequenced to date encode enzymes that use coenzyme A as a substrate, and around 4% of cellular enzymes use it (or a thioester, such as acetyl-CoA) as a substrate. In humans, CoA biosynthesis requires cysteamine, pantothenate, and adenosine triphosphate. [Wikipedia]. It is used as a supplement for the hypothetical treatment of acne.

Structure
Thumb
Synonyms
  • 3'-phosphoadenosine-(5')diphospho(4')pantatheine
  • CoA
  • CoA-SH
  • CoASH
  • HSCoA
Categories
UNII
SAA04E81UX
CAS number
85-61-0
Weight
Average: 767.534
Monoisotopic: 767.115208365
Chemical Formula
C21H36N7O16P3S
InChI Key
RGJOEKWQDUBAIZ-IBOSZNHHSA-N
InChI
InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
IUPAC Name
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
SMILES
CC(C)(COP(O)(=O)OP(O)(=O)OC[[email protected]]1O[[email protected]]([[email protected]](O)[[email protected]@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[[email protected]@H](O)C(=O)NCCC(=O)NCCS

Pharmacology

Indication
Not Available
Structured Indications
Not Available
Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UGalactoside O-acetyltransferaseNot AvailableEscherichia coli (strain K12)
U3-hydroxy-3-methylglutaryl-coenzyme A reductaseNot AvailableHuman
UFatty acid metabolism regulator proteinNot AvailableShigella flexneri
UHistone acetyltransferase KAT5Not AvailableHuman
U2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferaseNot AvailableUnknown prokaryotic organism
UAcetyl-CoA acetyltransferase, cytosolicNot AvailableHuman
UAcetyl-CoA acetyltransferaseNot AvailableZoogloea ramigera
UStreptogramin A acetyltransferaseNot AvailableEnterococcus faecium
UCitrate synthase, mitochondrialNot AvailableHuman
U3-oxoacyl-[acyl-carrier-protein] synthase 3Not AvailableEscherichia coli (strain K12)
UFormyl-coenzyme A transferaseNot AvailableOxalobacter formigenes
UDihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complexNot AvailableAzotobacter vinelandii
UPantothenate kinaseNot AvailableEscherichia coli (strain K12)
UAcetyl-coenzyme A synthetaseNot AvailableSalmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
UAcyl-CoA-binding proteinNot AvailableHuman
UFormyl-coenzyme A transferaseNot AvailableShigella flexneri
UCarnitine O-acetyltransferaseNot AvailableHuman
UCrotonobetainyl-CoA:carnitine CoA-transferaseNot AvailableEscherichia coli (strain K12)
UFormate acetyltransferase 1Not AvailableEscherichia coli (strain K12)
UMalate synthase GNot AvailableMycobacterium tuberculosis
U3-hydroxy-3-methylglutaryl-coenzyme A reductaseNot AvailablePseudomonas mevalonii
UPhosphopantetheine adenylyltransferaseNot AvailableShigella flexneri
UHolo-[acyl-carrier-protein] synthaseNot AvailableBacillus subtilis (strain 168)
UProtease synthase and sporulation negative regulatory protein PAI 1Not AvailableBacillus subtilis (strain 168)
UGentamicin 3'-acetyltransferaseNot AvailablePseudomonas aeruginosa
UBifunctional protein GlmUNot AvailableEscherichia coli (strain K12)
UAcetyl transferaseNot AvailableSalmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
UUncharacterized N-acetyltransferase YvbKNot AvailableBacillus subtilis (strain 168)
UAminoglycoside N(6')-acetyltransferase type 1Not AvailableSalmonella enteritidis
UAcyl-CoA hydrolaseNot AvailableBacillus cereus (strain ATCC 14579 / DSM 31)
UUncharacterized acyl-CoA thioester hydrolase HI_0827Not AvailableHaemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
U3-oxoacyl-[acyl-carrier-protein] synthase 3Not AvailableStreptomyces lividans
UMycothiol acetyltransferaseNot AvailableMycobacterium tuberculosis
UHistone acetyltransferase KAT2ANot AvailableHuman
UAcyl-CoA hydrolaseNot AvailableBacillus halodurans (strain ATCC BAA-125 / DSM 18197 / FERM 7344 / JCM 9153 / C-125)
UHistone acetyltransferase KAT2BNot AvailableHuman
U1,4-Dihydroxy-2-naphthoyl-CoA synthaseNot AvailableMycobacterium tuberculosis
UCitrate synthaseNot AvailableThermus thermophilus
UAminoglycoside 2'-N-acetyltransferaseNot AvailableMycobacterium tuberculosis
UAac(6')-Ii proteinNot AvailableEnterococcus faecium
U4'-phosphopantetheinyl transferase sfpNot AvailableBacillus subtilis (strain 168)
UUncharacterized proteinNot AvailablePseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
USerine acetyltransferaseNot AvailableHaemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
UCitrate synthaseNot AvailableAntarctic bacterium DS2-3R
U4-hydroxybenzoyl-CoA thioesteraseNot AvailableArthrobacter sp.
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

Synthesis Reference

Shigeru Ikuta, Shigeyuki Imamura, Hidehiko Ishikawa, Kazuo Matsuura, Masaki Takada, Hideo Misaki, "Process for the production of acyl-Coenzyme A oxidase." U.S. Patent US4346173, issued September, 1980.

US4346173
General References
Not Available
External Links
Human Metabolome Database
HMDB62184
KEGG Compound
C00010
PubChem Compound
87642
PubChem Substance
46507023
ChemSpider
79067
BindingDB
50367033
ChEBI
15346
ChEMBL
CHEMBL1213327
HET
COA
Wikipedia
Coenzyme_A
PDB Entries
1a59 / 1aca / 1aj8 / 1bo4 / 1bq6 / 1cm0 / 1cqi / 1cqj / 1d6h / 1dlv
show 452 more

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentHyperlipoproteinemias1
2, 3Unknown StatusTreatmentHyperlipoproteinemias1
3CompletedTreatmentHyperlipoproteinemias2

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility4.64 mg/mLALOGPS
logP-0.61ALOGPS
logP-6.8ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)0.83ChemAxon
pKa (Strongest Basic)4.95ChemAxon
Physiological Charge-4ChemAxon
Hydrogen Acceptor Count16ChemAxon
Hydrogen Donor Count10ChemAxon
Polar Surface Area346.56 Å2ChemAxon
Rotatable Bond Count18ChemAxon
Refractivity162.74 m3·mol-1ChemAxon
Polarizability66.04 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+0.7401
Blood Brain Barrier-0.7907
Caco-2 permeable-0.7208
P-glycoprotein substrateSubstrate0.76
P-glycoprotein inhibitor INon-inhibitor0.6842
P-glycoprotein inhibitor IINon-inhibitor0.9863
Renal organic cation transporterNon-inhibitor0.9581
CYP450 2C9 substrateNon-substrate0.8266
CYP450 2D6 substrateNon-substrate0.7883
CYP450 3A4 substrateSubstrate0.5836
CYP450 1A2 substrateNon-inhibitor0.8318
CYP450 2C9 inhibitorNon-inhibitor0.8355
CYP450 2D6 inhibitorNon-inhibitor0.842
CYP450 2C19 inhibitorNon-inhibitor0.8115
CYP450 3A4 inhibitorNon-inhibitor0.8203
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9333
Ames testNon AMES toxic0.667
CarcinogenicityNon-carcinogens0.8271
BiodegradationNot ready biodegradable1.0
Rat acute toxicity2.6158 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.944
hERG inhibition (predictor II)Non-inhibitor0.6083
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as coenzyme a and derivatives. These are derivative of vitamin B5 containing a 4'-phosphopantetheine moiety attached to a diphospho-adenosine.
Kingdom
Organic compounds
Super Class
Nucleosides, nucleotides, and analogues
Class
Purine nucleotides
Sub Class
Purine ribonucleotides
Direct Parent
Coenzyme A and derivatives
Alternative Parents
Purine ribonucleoside diphosphates / Pentose phosphates / Ribonucleoside 3'-phosphates / Glycosylamines / 6-aminopurines / Monosaccharide phosphates / Organic pyrophosphates / Aminopyrimidines and derivatives / Monoalkyl phosphates / N-substituted imidazoles
show 13 more
Substituents
Coenzyme a or derivatives / Purine ribonucleoside diphosphate / Pentose phosphate / Pentose-5-phosphate / Ribonucleoside 3'-phosphate / Glycosyl compound / N-glycosyl compound / Organic pyrophosphate / Pentose monosaccharide / Monosaccharide phosphate
show 37 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
adenosine 3',5'-bisphosphate (CHEBI:15346)

Targets

Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Galactoside o-acetyltransferase activity
Specific Function
May assist cellular detoxification by acetylating non-metabolizable pyranosides, thereby preventing their reentry into the cell.
Gene Name
lacA
Uniprot ID
P07464
Uniprot Name
Galactoside O-acetyltransferase
Molecular Weight
22798.89 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Nadph binding
Specific Function
Transmembrane glycoprotein that is the rate-limiting enzyme in cholesterol biosynthesis as well as in the biosynthesis of nonsterol isoprenoids that are essential for normal cell function including...
Gene Name
HMGCR
Uniprot ID
P04035
Uniprot Name
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Molecular Weight
97475.155 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Shigella flexneri
Pharmacological action
Unknown
General Function
Transcription factor activity, sequence-specific dna binding
Specific Function
Multifunctional regulator of fatty acid metabolism.
Gene Name
fadR
Uniprot ID
P0A8V9
Uniprot Name
Fatty acid metabolism regulator protein
Molecular Weight
26968.35 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Transcription coactivator activity
Specific Function
Catalytic subunit of the NuA4 histone acetyltransferase complex which is involved in transcriptional activation of select genes principally by acetylation of nucleosomal histones H4 and H2A. This m...
Gene Name
KAT5
Uniprot ID
Q92993
Uniprot Name
Histone acetyltransferase KAT5
Molecular Weight
58581.45 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Kind
Protein
Organism
Unknown prokaryotic organism
Pharmacological action
Unknown
General Function
2,3,4,5-tetrahydropyridine-2,6-dicarboxylate n-succinyltransferase activity
Specific Function
Not Available
Gene Name
dapD
Uniprot ID
P56220
Uniprot Name
2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
Molecular Weight
29886.885 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Acetyl-coa c-acetyltransferase activity
Specific Function
Not Available
Gene Name
ACAT2
Uniprot ID
Q9BWD1
Uniprot Name
Acetyl-CoA acetyltransferase, cytosolic
Molecular Weight
41350.5 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Zoogloea ramigera
Pharmacological action
Unknown
General Function
Acetyl-coa c-acetyltransferase activity
Specific Function
Not Available
Gene Name
phbA
Uniprot ID
P07097
Uniprot Name
Acetyl-CoA acetyltransferase
Molecular Weight
40472.955 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Enterococcus faecium
Pharmacological action
Unknown
General Function
Transferase activity, transferring acyl groups
Specific Function
Inactivates the A compounds of streptogramin antibiotics by acetylation, thus providing resistance to these antibiotics.
Gene Name
vatD
Uniprot ID
P50870
Uniprot Name
Streptogramin A acetyltransferase
Molecular Weight
23649.22 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Poly(a) rna binding
Specific Function
Not Available
Gene Name
CS
Uniprot ID
O75390
Uniprot Name
Citrate synthase, mitochondrial
Molecular Weight
51712.025 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Beta-ketoacyl-acyl-carrier-protein synthase iii activity
Specific Function
Catalyzes the condensation reaction of fatty acid synthesis by the addition to an acyl acceptor of two carbons from malonyl-ACP. Catalyzes the first condensation reaction which initiates fatty acid...
Gene Name
fabH
Uniprot ID
P0A6R0
Uniprot Name
3-oxoacyl-[acyl-carrier-protein] synthase 3
Molecular Weight
33514.78 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Oxalobacter formigenes
Pharmacological action
Unknown
General Function
Formyl-coa transferase activity
Specific Function
Involved in the catabolism of oxalate and in the adapatation to low pH via the induction of the oxalate-dependent acid tolerance response (ATR). Essential enzyme for the bacterium survival, as it r...
Gene Name
frc
Uniprot ID
O06644
Uniprot Name
Formyl-CoA:oxalate CoA-transferase
Molecular Weight
47326.775 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Azotobacter vinelandii
Pharmacological action
Unknown
General Function
Dihydrolipoyllysine-residue acetyltransferase activity
Specific Function
The pyruvate dehydrogenase complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO(2). It contains multiple copies of three enzymatic components: pyruvate dehydrogenase (E1), dihy...
Gene Name
Not Available
Uniprot ID
P10802
Uniprot Name
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex
Molecular Weight
65044.135 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Pantothenate kinase activity
Specific Function
Not Available
Gene Name
coaA
Uniprot ID
P0A6I3
Uniprot Name
Pantothenate kinase
Molecular Weight
36359.435 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
Pharmacological action
Unknown
General Function
Metal ion binding
Specific Function
Catalyzes the conversion of acetate into acetyl-CoA (AcCoA), an essential intermediate at the junction of anabolic and catabolic pathways. Acs undergoes a two-step reaction. In the first half react...
Gene Name
acs
Uniprot ID
Q8ZKF6
Uniprot Name
Acetyl-coenzyme A synthetase
Molecular Weight
72152.085 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Protein dimerization activity
Specific Function
Binds medium- and long-chain acyl-CoA esters with very high affinity and may function as an intracellular carrier of acyl-CoA esters. It is also able to displace diazepam from the benzodiazepine (B...
Gene Name
DBI
Uniprot ID
P07108
Uniprot Name
Acyl-CoA-binding protein
Molecular Weight
10044.37 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Kind
Protein
Organism
Shigella flexneri
Pharmacological action
Unknown
General Function
Formyl-coa transferase activity
Specific Function
Involved in the catabolism of oxalate and in the adapatation to low pH via the induction of the oxalate-dependent acid tolerance response (ATR). Catalyzes the transfer of the CoA moiety from formyl...
Gene Name
frc
Uniprot ID
P69903
Uniprot Name
Formyl-CoA:oxalate CoA-transferase
Molecular Weight
45827.825 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Receptor binding
Specific Function
Carnitine acetylase is specific for short chain fatty acids. Carnitine acetylase seems to affect the flux through the pyruvate dehydrogenase complex. It may be involved as well in the transport of ...
Gene Name
CRAT
Uniprot ID
P43155
Uniprot Name
Carnitine O-acetyltransferase
Molecular Weight
70857.055 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Coa-transferase activity
Specific Function
Catalyzes the reversible transfer of the CoA moiety from gamma-butyrobetainyl-CoA to L-carnitine to generate L-carnitinyl-CoA and gamma-butyrobetaine. Is also able to catalyze the reversible transf...
Gene Name
caiB
Uniprot ID
P31572
Uniprot Name
L-carnitine CoA-transferase
Molecular Weight
45126.41 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Formate c-acetyltransferase activity
Specific Function
Not Available
Gene Name
pflB
Uniprot ID
P09373
Uniprot Name
Formate acetyltransferase 1
Molecular Weight
85356.555 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Mycobacterium tuberculosis
Pharmacological action
Unknown
General Function
Involved in the glycolate utilization. Catalyzes the condensation and subsequent hydrolysis of acetyl-coenzyme A (acetyl-CoA) and glyoxylate to form malate and CoA.
Specific Function
Coenzyme binding
Gene Name
glcB
Uniprot ID
P9WK17
Uniprot Name
Malate synthase G
Molecular Weight
80402.24 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Pseudomonas mevalonii
Pharmacological action
Unknown
General Function
Hydroxymethylglutaryl-coa reductase activity
Specific Function
P.mevalonii can use mevalonate as sole carbon source. With this enzyme mevalonate is deacetylated to HMG-CoA.
Gene Name
mvaA
Uniprot ID
P13702
Uniprot Name
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Molecular Weight
45589.915 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Shigella flexneri
Pharmacological action
Unknown
General Function
Pantetheine-phosphate adenylyltransferase activity
Specific Function
Reversibly transfers an adenylyl group from ATP to 4'-phosphopantetheine, yielding dephospho-CoA (dPCoA) and pyrophosphate.
Gene Name
coaD
Uniprot ID
P0A6I8
Uniprot Name
Phosphopantetheine adenylyltransferase
Molecular Weight
17836.51 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Bacillus subtilis (strain 168)
Pharmacological action
Unknown
General Function
Magnesium ion binding
Specific Function
Transfers the 4'-phosphopantetheine moiety from coenzyme A to a Ser of fatty acid acyl-carrier-protein ACP. Also modifies the D-alanyl carrier protein but fails to recognize PCP and AcpK, an acyl c...
Gene Name
acpS
Uniprot ID
P96618
Uniprot Name
Holo-[acyl-carrier-protein] synthase
Molecular Weight
13717.63 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Bacillus subtilis (strain 168)
Pharmacological action
Unknown
General Function
Diamine n-acetyltransferase activity
Specific Function
Involved in the protection against polyamine toxicity by regulating their concentration. Also could be involved in the negative control of sporulation as well as production of degradative enzymes s...
Gene Name
paiA
Uniprot ID
P21340
Uniprot Name
Spermidine/spermine N(1)-acetyltransferase
Molecular Weight
20014.605 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Pseudomonas aeruginosa
Pharmacological action
Unknown
General Function
Aminoglycoside 3-n-acetyltransferase activity
Specific Function
Responsible for gentamicin resistance and has a limited substrate range.
Gene Name
aacC1
Uniprot ID
P23181
Uniprot Name
Gentamicin 3-N-acetyltransferase
Molecular Weight
19441.81 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Udp-n-acetylglucosamine diphosphorylase activity
Specific Function
Catalyzes the last two sequential reactions in the de novo biosynthetic pathway for UDP-N-acetylglucosamine (UDP-GlcNAc). The C-terminal domain catalyzes the transfer of acetyl group from acetyl co...
Gene Name
glmU
Uniprot ID
P0ACC7
Uniprot Name
Bifunctional protein GlmU
Molecular Weight
49189.765 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
Pharmacological action
Unknown
General Function
N-acetyltransferase activity
Specific Function
Not Available
Gene Name
rimL
Uniprot ID
Q8ZPC0
Uniprot Name
Acetyl transferase
Molecular Weight
20605.37 Da
Kind
Protein
Organism
Bacillus subtilis (strain 168)
Pharmacological action
Unknown
General Function
N-acetyltransferase activity
Specific Function
Probable N-acetyltransferase.
Gene Name
yvbK
Uniprot ID
O32248
Uniprot Name
Uncharacterized N-acetyltransferase YvbK
Molecular Weight
17745.09 Da
Kind
Protein
Organism
Salmonella enteritidis
Pharmacological action
Unknown
General Function
Protein homodimerization activity
Specific Function
Catalyzes the transfer of an acetyl group from acetyl-CoA to the 6'-amino group of aminoglycoside molecules conferring resistance to antibiotics containing the purpurosamine ring including amikacin...
Gene Name
Not Available
Uniprot ID
Q9R381
Uniprot Name
Aminoglycoside N(6')-acetyltransferase type 1
Molecular Weight
16361.42 Da
Kind
Protein
Organism
Bacillus cereus (strain ATCC 14579 / DSM 31)
Pharmacological action
Unknown
General Function
Metal ion binding
Specific Function
Not Available
Gene Name
Not Available
Uniprot ID
Q81EE4
Uniprot Name
Acyl-CoA hydrolase
Molecular Weight
19313.01 Da
Kind
Protein
Organism
Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
Pharmacological action
Unknown
General Function
Hydrolase activity
Specific Function
Not Available
Gene Name
Not Available
Uniprot ID
P44886
Uniprot Name
Uncharacterized acyl-CoA thioester hydrolase HI_0827
Molecular Weight
16763.305 Da
Kind
Protein
Organism
Streptomyces lividans
Pharmacological action
Unknown
General Function
Beta-ketoacyl-acyl-carrier-protein synthase iii activity
Specific Function
Catalyzes the condensation reaction of fatty acid synthesis by the addition to an acyl acceptor of two carbons from malonyl-ACP. Catalyzes the first condensation reaction which initiates fatty acid...
Gene Name
fabH
Uniprot ID
Q9F6D4
Uniprot Name
3-oxoacyl-[acyl-carrier-protein] synthase 3
Molecular Weight
35391.78 Da
Kind
Protein
Organism
Mycobacterium tuberculosis
Pharmacological action
Unknown
General Function
Catalyzes the transfer of acetyl from acetyl-CoA to desacetylmycothiol (Cys-GlcN-Ins) to form mycothiol.
Specific Function
Mycothiol synthase activity
Gene Name
mshD
Uniprot ID
P9WJM7
Uniprot Name
Mycothiol acetyltransferase
Molecular Weight
33598.82 Da
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Transcription factor binding
Specific Function
Functions as a histone acetyltransferase (HAT) to promote transcriptional activation. Acetylation of histones gives a specific tag for epigenetic transcription activation. Has significant histone a...
Gene Name
KAT2A
Uniprot ID
Q92830
Uniprot Name
Histone acetyltransferase KAT2A
Molecular Weight
93924.72 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Kind
Protein
Organism
Bacillus halodurans (strain ATCC BAA-125 / DSM 18197 / FERM 7344 / JCM 9153 / C-125)
Pharmacological action
Unknown
General Function
Hydrolase activity
Specific Function
Not Available
Gene Name
Not Available
Uniprot ID
Q9KEQ1
Uniprot Name
Acyl-CoA hydrolase
Molecular Weight
17327.56 Da
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Transcription factor binding
Specific Function
Functions as a histone acetyltransferase (HAT) to promote transcriptional activation. Has significant histone acetyltransferase activity with core histones (H3 and H4), and also with nucleosome cor...
Gene Name
KAT2B
Uniprot ID
Q92831
Uniprot Name
Histone acetyltransferase KAT2B
Molecular Weight
93012.295 Da
Kind
Protein
Organism
Mycobacterium tuberculosis
Pharmacological action
Unknown
General Function
Converts o-succinylbenzoyl-CoA (OSB-CoA) to 1,4-dihydroxy-2-naphthoyl-CoA (DHNA-CoA).
Specific Function
1,4-dihydroxy-2-naphthoyl-coa synthase activity
Gene Name
menB
Uniprot ID
P9WNP5
Uniprot Name
1,4-dihydroxy-2-naphthoyl-CoA synthase
Molecular Weight
34688.715 Da
Kind
Protein
Organism
Thermus thermophilus
Pharmacological action
Unknown
General Function
Transferase activity, transferring acyl groups, acyl groups converted into alkyl on transfer
Specific Function
Not Available
Gene Name
cit
Uniprot ID
Q9LCX9
Uniprot Name
Citrate synthase
Molecular Weight
42322.13 Da
Kind
Protein
Organism
Mycobacterium tuberculosis
Pharmacological action
Unknown
General Function
May catalyze the coenzyme A-dependent acetylation of the 2' hydroxyl or amino group of a broad spectrum of aminoglycosides and confer resistance to aminoglycosides (By similarity). In vitro assays show no significant increase of resistance to aminoglycosides, possibly due to low expression in a heterologous system (PubMed:9159528).
Specific Function
Aminoglycoside 2'-n-acetyltransferase activity
Gene Name
aac
Uniprot ID
P9WQG9
Uniprot Name
Aminoglycoside 2'-N-acetyltransferase
Molecular Weight
20037.53 Da
Kind
Protein
Organism
Enterococcus faecium
Pharmacological action
Unknown
General Function
N-acetyltransferase activity
Specific Function
Not Available
Gene Name
aac(6')-Ii
Uniprot ID
Q47764
Uniprot Name
Aac(6')-Ii protein
Molecular Weight
20679.115 Da
Kind
Protein
Organism
Bacillus subtilis (strain 168)
Pharmacological action
Unknown
General Function
Magnesium ion binding
Specific Function
Activates the seven peptidyl carrier protein (PCP) domains of surfactin synthase SRF1/2/3 by transferring the 4'-phosphopantetheinyl moiety of coenzyme A (CoA) to a serine residue. Required for cel...
Gene Name
sfp
Uniprot ID
P39135
Uniprot Name
4'-phosphopantetheinyl transferase sfp
Molecular Weight
26167.415 Da
Kind
Protein
Organism
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
Pharmacological action
Unknown
General Function
N-acetyltransferase activity
Specific Function
Not Available
Gene Name
Not Available
Uniprot ID
Q9HYX1
Uniprot Name
Uncharacterized protein
Molecular Weight
21901.01 Da
Kind
Protein
Organism
Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
Pharmacological action
Unknown
General Function
Serine o-acetyltransferase activity
Specific Function
Not Available
Gene Name
cysE
Uniprot ID
P43886
Uniprot Name
Serine acetyltransferase
Molecular Weight
29166.2 Da
Kind
Protein
Organism
Antarctic bacterium DS2-3R
Pharmacological action
Unknown
General Function
Citrate synthase activity
Specific Function
Involved in the catabolism of short chain fatty acids (SCFA) via the tricarboxylic acid (TCA)(acetyl degradation route) and via the 2-methylcitrate cycle I (propionate degradation route). Catalyzes...
Gene Name
gltA
Uniprot ID
O34002
Uniprot Name
2-methylcitrate synthase
Molecular Weight
41832.0 Da
Kind
Protein
Organism
Arthrobacter sp.
Pharmacological action
Unknown
General Function
4-hydroxybenzoyl-coa thioesterase activity
Specific Function
Not Available
Gene Name
fcbC
Uniprot ID
Q04416
Uniprot Name
4-hydroxybenzoyl-CoA thioesterase
Molecular Weight
16394.32 Da

Enzymes

Kind
Protein
Organism
Mycobacterium tuberculosis
Pharmacological action
Unknown
General Function
May catalyze the coenzyme A-dependent acetylation of the 2' hydroxyl or amino group of a broad spectrum of aminoglycosides and confer resistance to aminoglycosides (By similarity). In vitro assays show no significant increase of resistance to aminoglycosides, possibly due to low expression in a heterologous system (PubMed:9159528).
Specific Function
Aminoglycoside 2'-n-acetyltransferase activity
Gene Name
aac
Uniprot ID
P9WQG9
Uniprot Name
Aminoglycoside 2'-N-acetyltransferase
Molecular Weight
20037.53 Da

Drug created on June 13, 2005 07:24 / Updated on November 09, 2017 03:08