Structure of PDB 3ect Chain A Binding Site BS01

Receptor Information
>3ect Chain A (length=176) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LEKMLKGHASAEIEALRSQAGRLKLEINQSLDEAERYALQRELFGHLGHK
SCVQPPFHCEFGKTIRIGDHTFINMNVVMLDGAPITIGDHVLIGPSTQFY
TASHSLDYRRRQAWETICKPIVIEDDVWIGGNVVINQGVTIGARSVVAAN
SVVNQDVPPDTLVGGTPARILRSLKD
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3ect Chain A Residue 193 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ect Crystal Structure of the Hexapeptide-Repeat Containing-Acetyltransferase VCA0836 from Vibrio cholerae
Resolution2.51 Å
Binding residue
(original residue number in PDB)		G147 D165
Binding residue
(residue number reindexed from 1)		G138 D156
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008374 O-acyltransferase activity
GO:0016407 acetyltransferase activity
GO:0016740 transferase activity
GO:0016746 acyltransferase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Cellular Component
External links
PDB RCSB:3ect, PDBe:3ect, PDBj:3ect
PDBsum3ect
PubMed
UniProtQ9KLB0

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