Structure of PDB 3ej3 Chain A Binding Site BS01
Receptor Information
>3ej3 Chain A (length=62) Species:
47881
(Pseudomonas pavonaceae) [
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PMISCDMRYGRTDEQKRALSAGLLRVISEATGEPRENIFFVIREGSGINF
VEHGEHLPDYVP
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
3ej3 Chain A Residue 76 [
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Receptor-Ligand Complex Structure
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PDB
3ej3
Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity.
Resolution
1.7 Å
Binding residue
(original residue number in PDB)
R8 R11 F50
Binding residue
(residue number reindexed from 1)
R8 R11 F50
Annotation score
1
Enzymatic activity
Enzyme Commision number
5.3.2.6
: 2-hydroxymuconate tautomerase.
Gene Ontology
Molecular Function
GO:0016853
isomerase activity
Biological Process
GO:0009056
catabolic process
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Molecular Function
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Biological Process
External links
PDB
RCSB:3ej3
,
PDBe:3ej3
,
PDBj:3ej3
PDBsum
3ej3
PubMed
19018104
UniProt
Q9EV85
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