Structure of PDB 1bqr Chain A Binding Site BS01

Receptor Information
>1bqr Chain A (length=124) Species: 223 (Achromobacter cycloclastes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADFEVHMLNKGKDGAMVFEPASLKVAPGDTVTFIPTDKGHNVETIKGMIP
DGAEAFKSKINENYKVTFTAPGVYGVKCTPHYGMGMVGVVQVGDAPANLE
AVKGAKNPKKAQERLDAALAALGN
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 chain1bqr Chain A Residue 125 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bqr Crystal structure determinations of oxidized and reduced pseudoazurins from Achromobacter cycloclastes. Concerted movement of copper site in redox forms with the rearrangement of hydrogen bond at a remote histidine.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H40 C78 H81 M86
Binding residue
(residue number reindexed from 1)		H40 C78 H81 M86
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) H40 C78 H81 M86
Catalytic site (residue number reindexed from 1) H40 C78 H81 M86
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0009055 electron transfer activity
GO:0046872 metal ion binding
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Cellular Component
External links
PDB RCSB:1bqr, PDBe:1bqr, PDBj:1bqr
PDBsum1bqr
PubMed10364229
UniProtP19567|AZUP_ACHCY Pseudoazurin (Gene Name=bcp)

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