Structure of PDB 4ozi Chain D Binding Site BS02

Receptor Information
>4ozi Chain D (length=181) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPEDFVYQFKGMCYFTNGTERVRLVSRSIYNREEIVRFDSDVGEFRAVTL
LGLPAAEYWNSQKDILERKRAAVDRVCRHNYQLELRTTLQRRVEPTVTIS
PSHNLLVCSVTDFYPAQIKVRWFRNDQEETAGVVSTPLIRNGDWTFQILV
MLEMTPQRGDVYTCHVEHPSLQSPITVEWRA
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 chain4ozi Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ozi T-cell receptor recognition of HLA-DQ2-gliadin complexes associated with celiac disease.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		E96 S179 Q181
Binding residue
(residue number reindexed from 1)		E94 S170 Q172
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006955 immune response
GO:0019882 antigen processing and presentation
Cellular Component
GO:0016020 membrane
GO:0042613 MHC class II protein complex

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Biological Process
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Cellular Component
External links
PDB RCSB:4ozi, PDBe:4ozi, PDBj:4ozi
PDBsum4ozi
PubMed24777060
UniProtQ5Y7D3

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