Structure of PDB 3kv7 Chain A Binding Site BS02
Receptor Information
>3kv7 Chain A (length=133) Species:
29303
(Streptantibioticus cattleyicolor) [
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MRVGERFTHDFVVPPHKTVRHLYPESPEFAEFPEVFATGFMVGLMEWACV
RAMAPYLEPGEGSLGTAICVTHTAATPPGLTVTVTAELRSVEGRRLSWRV
SAHDGVDEIGSGTHERAVIHLEKFNAKVRQKTP
Ligand information
Ligand ID
ACT
InChI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKey
QTBSBXVTEAMEQO-UHFFFAOYSA-M
SMILES
Software
SMILES
ACDLabs 10.04
[O-]C(=O)C
OpenEye OEToolkits 1.5.0
CC(=O)[O-]
CACTVS 3.341
CC([O-])=O
Formula
C2 H3 O2
Name
ACETATE ION
ChEMBL
DrugBank
DB14511
ZINC
PDB chain
3kv7 Chain B Residue 140 [
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Receptor-Ligand Complex Structure
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PDB
3kv7
Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
Resolution
1.56 Å
Binding residue
(original residue number in PDB)
H76 A78
Binding residue
(residue number reindexed from 1)
H72 A74
Annotation score
1
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
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Molecular Function
External links
PDB
RCSB:3kv7
,
PDBe:3kv7
,
PDBj:3kv7
PDBsum
3kv7
PubMed
20430898
UniProt
Q1EMV2
|FLK_STRCT Fluoroacetyl-CoA thioesterase (Gene Name=flK)
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