Structure of PDB 6nd9 Chain R Binding Site BS01

Receptor Information
>6nd9 Chain R (length=191) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LIDVVVVCDESNSIYPWDAVKNFLEKFVQGLDIGPTKTQVGLIQYANNPR
VVFNLNTYKTKEEMIVATSQTSQYGGDLTNTFGAIQYARKYAYSAASGGR
RSATKVMVVVTDGESHDGSMLKAVIDQCNHDNILRFGIAVLGYLNRNALD
TKNLIKEIKAIASIPTERYFFNVSDEAALLEKAGTLGEQIF
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 chain6nd9 Chain R Residue 401 [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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PDB6nd9 RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN AND CALCIUM
Resolution2.9 Å
Binding residue
(original residue number in PDB)		S182 S184 D283
Binding residue
(residue number reindexed from 1)		S11 S13 D112
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6nd9, PDBe:6nd9, PDBj:6nd9
PDBsum6nd9
PubMed
UniProtP17301|ITA2_HUMAN Integrin alpha-2 (Gene Name=ITGA2)

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