Structure of PDB 2aqr Chain A Binding Site BS01

Receptor Information
>2aqr Chain A (length=155) Species: 487 (Neisseria meningitidis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASIEVKVQQLDPVNGNKDVGTVTITESNYGLVFTPDLQGLSEGLHGFHIH
ENPSCEPKEQEGKLTAGLGAGGHWDPKGAKQHGYPWQDDAHLGDLPALTV
LHDGTATNPVLAPRLKHLDDVRGHSIMIHTGGDNHSDHPAPLGGGGPRMA
CGVIK
Ligand information
Ligand IDCU1
InChIInChI=1S/Cu/q+1
InChIKeyVMQMZMRVKUZKQL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Cu+]
FormulaCu
NameCOPPER (I) ION
ChEMBL
DrugBank
ZINC
PDB chain2aqr Chain A Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2aqr CU/ZN superoxide dismutase from neisseria meningitidis K91Q mutant
Resolution1.75 Å
Binding residue
(original residue number in PDB)		H79 H81 H160
Binding residue
(residue number reindexed from 1)		H48 H50 H129
Annotation score1
Enzymatic activity
Enzyme Commision number 1.15.1.1: superoxide dismutase.
Gene Ontology
Molecular Function
GO:0004784 superoxide dismutase activity
GO:0005507 copper ion binding
GO:0016209 antioxidant activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006801 superoxide metabolic process
GO:0019430 removal of superoxide radicals
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2aqr, PDBe:2aqr, PDBj:2aqr
PDBsum2aqr
PubMed
UniProtQ59623|SODC_NEIMB Superoxide dismutase [Cu-Zn] (Gene Name=sodC)

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