Structure of PDB 3v4v Chain B Binding Site BS03

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 2003 [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)		D179 N235 D237 S238 P239 E240
Binding residue
(residue number reindexed from 1)		D99 N155 D157 S158 P159 E160
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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