Structure of PDB 3kv7 Chain B Binding Site BS01

Receptor Information
>3kv7 Chain B (length=133) Species: 29303 (Streptantibioticus cattleyicolor) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRVGERFTHDFVVPPHKTVRHLYPESPEFAEFPEVFATGFMVGLMEWACV
RAMAPYLEPGEGSLGTAICVTHTAATPPGLTVTVTAELRSVEGRRLSWRV
SAHDGVDEIGSGTHERAVIHLEKFNAKVRQKTP
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 chain3kv7 Chain A Residue 140 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3kv7 Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
Resolution1.56 Å
Binding residue
(original residue number in PDB)		E50 G69
Binding residue
(residue number reindexed from 1)		E46 G65
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:3kv7, PDBe:3kv7, PDBj:3kv7
PDBsum3kv7
PubMed20430898
UniProtQ1EMV2|FLK_STRCT Fluoroacetyl-CoA thioesterase (Gene Name=flK)

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