Structure of PDB 4bj3 Chain B Binding Site BS03

Receptor Information
>4bj3 Chain B (length=179) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IDVVVVCDESNSIYPWDAVKNFLEKFVQGLDIGPTKTQVGLIQYANNPRV
VFNLNTYKTKEEMIVATSQTSQYGGDLTNTFGAIQYARKYAYSAASGGRR
SATKVMVVVTDGESHDGSMLKAVIDQCNHDNILRFGIAVLGYLNRNALDT
KNLIKEIKAIASIPTERYFFNVSDWAALL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4bj3 Chain B Residue 802 [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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PDB4bj3 An Activating Mutation Reveals a Second Binding Mode of the Integrin Alpha2 I Domain to the Gfoger Motif in Collagens.
Resolution3.042 Å
Binding residue
(original residue number in PDB)		S153 S155 T221
Binding residue
(residue number reindexed from 1)		S10 S12 T78
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4bj3, PDBe:4bj3, PDBj:4bj3
PDBsum4bj3
PubMed23922814
UniProtP17301|ITA2_HUMAN Integrin alpha-2 (Gene Name=ITGA2)

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