Structure of PDB 4hi1 Chain C Binding Site BS01

Receptor Information
>4hi1 Chain C (length=87) Species: 345073 (Vibrio cholerae O395) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CSKFIVSGHVQGVGFRYHTSHQGLKLGLTGYAKNLNNGDVEVVACGTPER
LEELYLWLQEGPKTASVRQVRRLSSELEHDYQGFEIL
Ligand information
Ligand IDMOO
InChIInChI=1S/Mo.4O/q;;;2*-1
InChIKeyMEFBJEMVZONFCJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-][Mo](=O)(=O)[O-]
ACDLabs 10.04
CACTVS 3.341		[O-][Mo]([O-])(=O)=O
FormulaMo O4
NameMOLYBDATE ION;
MOLYBDATE
ChEMBL
DrugBankDB15878
ZINC
PDB chain4hi1 Chain C Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hi1 Crystal structure of acylphosphatase C20R mutant from Vibrio cholerae0395
Resolution1.964 Å
Binding residue
(original residue number in PDB)		V17 G18 F19 R20 Y21
Binding residue
(residue number reindexed from 1)		V13 G14 F15 R16 Y17
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R20 N38
Catalytic site (residue number reindexed from 1) R16 N34
Enzyme Commision number 3.6.1.7: acylphosphatase.
Gene Ontology
Molecular Function
GO:0003998 acylphosphatase activity
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:4hi1, PDBe:4hi1, PDBj:4hi1
PDBsum4hi1
PubMed
UniProtA5F8G9|ACYP_VIBC3 Acylphosphatase (Gene Name=acyP)

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