Structure of PDB 4p4k Chain B Binding Site BS01

Receptor Information
>4p4k Chain B (length=199) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QAFWIDLFETIGSPENYLFQGRQECYAFNGTQRFLERYIYNREEFVRFDS
DVGEFRAVTELGRPDEEYWNSQKDILEEERAVPDRMCRHNYELGGPMTLQ
RRVQPRVNVSPSKKGPLQHHNLLVCHVTDFYPGSIQVRWFLNGQEETAGV
VSTNLIRNGDWTFQILVMLEMTPQQGDVYTCQVEHTSLDSPVTVEWKAQ
Ligand information
Ligand ID0BE
InChIInChI=1S/Be/q+2
InChIKeyPWOSZCQLSAMRQW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
OpenEye OEToolkits 1.7.6		[Be+2]
CACTVS 3.385[Be++]
FormulaBe
NameBERYLLIUM
ChEMBL
DrugBank
ZINC
PDB chain4p4k Chain B Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4p4k Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D-20 E-17 E26 E69
Binding residue
(residue number reindexed from 1)		D6 E9 E36 E79
Annotation score1
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

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4p4k, PDBe:4p4k, PDBj:4p4k
PDBsum4p4k
PubMed24995984
UniProtP04440|DPB1_HUMAN HLA class II histocompatibility antigen, DP beta 1 chain (Gene Name=HLA-DPB1)

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