Structure of PDB 5ib5 Chain A Binding Site BS03

Receptor Information
>5ib5 Chain A (length=276) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHSMRYFHTSVSRPGRGEPRFITVGYVDDTLFVRFDSDAASPREEPRAP
WIEQEGPEYWDRETQICKAKAQTDREDLRTLLRYYNQSEAGSHTLQNMYG
CDVGPDGRLLRGYHQHAYDGKDYIALNEDLSSWTAADTAAQITQRKWEAA
RVAEQLRAYLEGECVEWLRRYLENGKETLQRADPPKTHVTHHPISDHEAT
LRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDRTFQKWAAVVVP
SGEEQRYTCHVQHEGLPKPLTLRWEP
Ligand information
Ligand IDCU
InChIInChI=1S/Cu/q+2
InChIKeyJPVYNHNXODAKFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Cu+2]
CACTVS 3.341[Cu++]
FormulaCu
NameCOPPER (II) ION
ChEMBL
DrugBankDB14552
ZINC
PDB chain5ib5 Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ib5 Metal-triggered conformational reorientation of a self-peptide bound to a disease-associated HLA-B*27 subtype.
Resolution2.49 Å
Binding residue
(original residue number in PDB)		H191 E254
Binding residue
(residue number reindexed from 1)		H191 E254
Annotation score3
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5ib5, PDBe:5ib5, PDBj:5ib5
PDBsum5ib5
PubMed31296658
UniProtP01889|HLAB_HUMAN HLA class I histocompatibility antigen, B alpha chain (Gene Name=HLA-B)

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