Structure of PDB 7sg1 Chain A Binding Site BS02

Receptor Information
>7sg1 Chain A (length=180) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVADHVASYGVNLYQSYGPSGQYTHEFDGDEQFYVDLGRKETVWCLPVLR
QFRFDPQFALTNIAVLKHNLNSLIKRSNSTAATNEVPEVTVFSKSPVTLG
QPNILICLVDNIFPPVVNITWLSNGHSVTEGVSETSFLSKSDHSFFKISY
LTLLPSAEESYDCKVEHWGLDKPLLKHWEP
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 chain7sg1 Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7sg1 Structural basis of T cell receptor specificity and cross-reactivity of two HLA-DQ2.5-restricted gluten epitopes in celiac disease.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		E85 N111
Binding residue
(residue number reindexed from 1)		E85 N111
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:7sg1, PDBe:7sg1, PDBj:7sg1
PDBsum7sg1
PubMed35065967
UniProtP01909|DQA1_HUMAN HLA class II histocompatibility antigen, DQ alpha 1 chain (Gene Name=HLA-DQA1)

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