Structure of PDB 3kuv Chain A Binding Site BS01

Receptor Information
>3kuv Chain A (length=132) Species: 29303 (Streptantibioticus cattleyicolor) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RVGERFTHDFVVPPHKTVRHLYPESPEFAEFPEVFASGFMVGLMEWACVR
AMAPYLEPGEGSLGTAICVTHTAATPPGLTVTVTAELRSVEGRRLSWRVS
AHDGVDEIGSGTHERAVIHLEKFNAKVRQKTP
Ligand information
Ligand IDACT
InChIInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKeyQTBSBXVTEAMEQO-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)C
OpenEye OEToolkits 1.5.0CC(=O)[O-]
CACTVS 3.341CC([O-])=O
FormulaC2 H3 O2
NameACETATE ION
ChEMBL
DrugBankDB14511
ZINC
PDB chain3kuv Chain A Residue 141 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3kuv Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		H76 A78
Binding residue
(residue number reindexed from 1)		H71 A73
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.2.29: fluoroacetyl-CoA thioesterase.
Gene Ontology
Molecular Function
GO:0016289 acyl-CoA hydrolase activity
GO:0016787 hydrolase activity
GO:0042803 protein homodimerization activity

View graph for
Molecular Function
External links
PDB RCSB:3kuv, PDBe:3kuv, PDBj:3kuv
PDBsum3kuv
PubMed20430898
UniProtQ1EMV2|FLK_STRCT Fluoroacetyl-CoA thioesterase (Gene Name=flK)

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