Structure of PDB 3v4v Chain B Binding Site BS02

Receptor Information
>3v4v Chain B (length=375) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RGQQEVLQDQPLSQGARGEGATQLAPQRVRVTLRPGEPQQLQVRFLRAEG
YPVDLYYLMDLSYSMKDDLERVRQLGHALLVRLQEVTHSVRIGFGSFVDK
TVLPFVSTVPSKLRHPCPTRLERCQSPFSFHHVLSLTGDAQAFEREVGRQ
SVSGNLDSPEGGFDAILQAALCQEQIGWRNVSRLLVFTSDDTFHTAGDGK
LGGIFMPSDGHCHLDSNGLYSRSTEFDYPSVGQVAQALSAANIQPIFAVT
SAALPVYQELSKLIPKSAVGELSEDSSNVVQLIMDAYNSLSSTVTLEHSS
LPPGVHISYESQCEGPEKREGKAEDRGQCNHVRINQTVTFWVSLQATHCL
PEPHLLRLRALGFSEELIVELHTLC
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 chain3v4v Chain B Residue 2002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3v4v Structural specializations of a4b7, an Integrin that Mediates Rolling Adhesion
Resolution3.1 Å
Binding residue
(original residue number in PDB)		S144 D147 E354
Binding residue
(residue number reindexed from 1)		S64 D67 E274
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3v4v, PDBe:3v4v, PDBj:3v4v
PDBsum3v4v
PubMed22232704
UniProtP26010|ITB7_HUMAN Integrin beta-7 (Gene Name=ITGB7)

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