Structure of PDB 5thp Chain I Binding Site BS01

Receptor Information
>5thp Chain I (length=191) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IDVVVVCDESNSIYPWDAVKNFLEKFVQGLDIGPTKTQVGLIQYANNPRV
VFNLNTYKTKEEMIVATSQTSQYGGDLTNTFGAIQYARKYAYSAASGGRR
SATKVMVVVTDGESHDGSMLKAVIDQCNHDNILRFGIAVLGYLNRNALDT
KNLIKEIKAIASIPTERYFFNVSDEAALLEKAGTLGEQIFS
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 chain5thp Chain I Residue 403 [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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PDB5thp Dramatic and concerted conformational changes enable rhodocetin to block alpha 2 beta 1 integrin selectively.
Resolution3.006 Å
Binding residue
(original residue number in PDB)		D180 S182 S184 T250 D283
Binding residue
(residue number reindexed from 1)		D8 S10 S12 T78 D111
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5thp, PDBe:5thp, PDBj:5thp
PDBsum5thp
PubMed28704364
UniProtP17301|ITA2_HUMAN Integrin alpha-2 (Gene Name=ITGA2)

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