Structure of PDB 8dml Chain B Binding Site BS02

Receptor Information
>8dml Chain B (length=133) Species: 670 (Vibrio parahaemolyticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QDPVHFYETSYKYQAADSTYMHDVAINVSIKGNHFTSDIIIRELVKSENK
NYYNVIGHGDIIQKNTHQYYLNFDNIDVYTGTNKANMKPYKEPTSISSLI
NKSNNIRVVYLSEEYVVVEFFFYDGQIITLHRY
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 chain8dml Chain B Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8dml Molecular determinants for differential activation of the bile acid receptor from the pathogen Vibrio parahaemolyticus.
Resolution2.08 Å
Binding residue
(original residue number in PDB)		N103 I104 D105 E120
Binding residue
(residue number reindexed from 1)		N75 I76 D77 E92
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links