Structure of PDB 4p57 Chain D Binding Site BS01

Receptor Information
>4p57 Chain D (length=196) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QAFWIDLFETIGGGSLPENYLFQGRQECYAFNGTQRFLERYIYNREEFVR
FDSDVGEFRAVTELGRPDEEYWNSQKDILEEKRAVPDRMCRHNYELGGPM
TLQRRVQPRVNVSPSKHNLLVCHVTDFYPGSIQVRWFLNGQEETAGVVST
NLIRNGDWTFQILVMLEMTPQQGDVYTCQVEHTSLDSPVTVEWKAQ
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 chain4p57 Chain D Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4p57 Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		E-17 E68
Binding residue
(residue number reindexed from 1)		E9 E81
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:4p57, PDBe:4p57, PDBj:4p57
PDBsum4p57
PubMed24995984
UniProtP04440|DPB1_HUMAN HLA class II histocompatibility antigen, DP beta 1 chain (Gene Name=HLA-DPB1)

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