Structure of PDB 5thp Chain O Binding Site BS01

Receptor Information
>5thp Chain O (length=191) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLIDVVVVCDESNSIYPWDAVKNFLEKFVQGLDIGPTKTQVGLIQYNNPR
VVFNLNTYKTKEEMIVATSQTSQYGGDLTNTFGAIQYARKYAYSAASGGR
RSATKVMVVVTDGESHDGSMLKAVIDQCNHDNILRFGIAVLGYLNRNALD
TKNLIKEIKAIASIPTERYFFNVSDEAALLEKAGTLGEQIF
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 O Residue 405 [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)		S182 S184
Binding residue
(residue number reindexed from 1)		S12 S14
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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