Structure of PDB 2bou Chain A Binding Site BS02

Receptor Information
>2bou Chain A (length=137) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RGCARWCPQDSSCVNATACRCNPGFSSFSEIITTPMETCDDINECATSCG
KFSDCWNTEGSYDCVCSPGYEPVSGAKTFKNESENTCQDVDECSSGQHQC
DSSTVCFNTVGSYSCRCRPGWKPRHGIPNNQKDTVCE
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 chain2bou Chain A Residue 158 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2bou Structural and Functional Characterization of a Novel T Cell Receptor Co-Regulatory Protein Complex, Cd97-Cd55.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D43 I44 E46 N63 T64 S67
Binding residue
(residue number reindexed from 1)		D41 I42 E44 N57 T58 S61
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0005509 calcium ion binding
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:2bou, PDBe:2bou, PDBj:2bou
PDBsum2bou
PubMed17449467
UniProtP48960|AGRE5_HUMAN Adhesion G protein-coupled receptor E5 (Gene Name=ADGRE5);
Q9UHX3|AGRE2_HUMAN Adhesion G protein-coupled receptor E2 (Gene Name=ADGRE2)

[Back to BioLiP]