Structure of PDB 3qa3 Chain E Binding Site BS01

Receptor Information
>3qa3 Chain E (length=186) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSDIAFLIDGSGSIIPHDFRRMKEFVSTVMEQLKKSKTLFSLMQYSEEFR
IHFTFKEFQNNPNPRSLVKPITQLLGRTHTATGIRKVVRELFNITNGARK
NAFKILVVITDGEKFGDPLGYEDVIPEADREGVIRYVIGVGDAFRSEKSR
QELNTIASKPPRDHVFQVNNFEALKTIQNQLREKGF
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 chain3qa3 Chain E Residue 500 [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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PDB3qa3 Stable Coordination of the Inhibitory Ca2+ Ion at the Metal Ion-Dependent Adhesion Site in Integrin CD11b/CD18 by an Antibody-Derived Ligand Aspartate: Implications for Integrin Regulation and Structure-Based Drug Design.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		S142 S144 D242
Binding residue
(residue number reindexed from 1)		S11 S13 D111
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3qa3, PDBe:3qa3, PDBj:3qa3
PDBsum3qa3
PubMed22095715
UniProtP11215|ITAM_HUMAN Integrin alpha-M (Gene Name=ITGAM)

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