Structure of PDB 5ks9 Chain E Binding Site BS02

Receptor Information
>5ks9 Chain E (length=193) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVTQSPEALRLQEGESSSLNCSYTVSGLRGLFWYRQDPGKGPEFLFTLYS
AGEEKEKERLKATLTKKESFLHITAPKPEDSATYLCAVALNNNAGNMLTF
GGGTRLMVKPHIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDS
DVYITDKCVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIP
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 E Residue 301 [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)		Q164 D174
Binding residue
(residue number reindexed from 1)		Q146 D156
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0002250 adaptive immune response
GO:0009617 response to bacterium
Cellular Component
GO:0005886 plasma membrane
GO:0042101 T cell receptor complex

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Biological Process
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Cellular Component
External links
PDB RCSB:5ks9, PDBe:5ks9, PDBj:5ks9
PDBsum5ks9
PubMed27568928
UniProtA0A0B4J274;
P01848|TRAC_HUMAN T cell receptor alpha chain constant (Gene Name=TRAC)

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