Structure of PDB 2aqq Chain B Binding Site BS01

Receptor Information
>2aqq Chain B (length=155) Species: 487 (Neisseria meningitidis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASIEVKVQQLDPVNGNKDVGTVTITESNYGLVFTPDLQGLSEGLHGFHIH
ENPSCEPKEEEGKLTAGLGAGGHWDPKGAKQHGYPWQDDAHLGDLPALTV
LHDGTATNPVLAPRLKHLDDVRGHSIMIHTGGDNHSDHPAPLGGGGPRMA
CGVIK
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 chain2aqq Chain A Residue 250 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2aqq CU/ZN superoxid dismutate from neisseria meningitidis K91E mutant
Resolution1.65 Å
Binding residue
(original residue number in PDB)		E73 H133
Binding residue
(residue number reindexed from 1)		E42 H102
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
GO:0098869 cellular oxidant detoxification
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:2aqq, PDBe:2aqq, PDBj:2aqq
PDBsum2aqq
PubMed
UniProtP57005|SODC_NEIMA Superoxide dismutase [Cu-Zn] (Gene Name=sodC)

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