Structure of PDB 5ks9 Chain C Binding Site BS02

Receptor Information
>5ks9 Chain C (length=182) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIVADHVASYGVNLYQSYGPSGQYSHEFDGDEEFYVDLERKETVWQLPLF
RRFRRFDPQFALTNIAVLKHNLNIVIKRSNSTAATNEVPEVTVFSKSPVT
LGQPNTLICLVDNIFPPVVNITWLSNGHSVTEGVSETSFLSKSDHSFFKI
SYLTFLPSADEIYDCKVEHWGLDEPLLKHWEP
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 chain5ks9 Chain C Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ks9 Diverse T Cell Receptor Gene Usage in HLA-DQ8-Associated Celiac Disease Converges into a Consensus Binding Solution.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		Q44 E134
Binding residue
(residue number reindexed from 1)		Q46 E136
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:5ks9, PDBe:5ks9, PDBj:5ks9
PDBsum5ks9
PubMed27568928
UniProtL8E864

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