Structure of PDB 2aqs Chain B Binding Site BS03

Receptor Information
>2aqs 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
ENPSCEPKEEEGELTAGLGAGGHWDPKGAKQHGYPWQDDAHLGDLPALTV
LHDGTATNPVLAPRLKHLDDVRGHSIMIHTGGDNHSDHPAPLGGGGPRMA
CGVIK
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2aqs Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2aqs CU/ZN superoxide dismutase from neisseria meningitidis K91E, K94E double mutant
Resolution1.7 Å
Binding residue
(original residue number in PDB)		H104 H113 H122 D125
Binding residue
(residue number reindexed from 1)		H73 H82 H91 D94
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2aqs, PDBe:2aqs, PDBj:2aqs
PDBsum2aqs
PubMed
UniProtQ59623|SODC_NEIMB Superoxide dismutase [Cu-Zn] (Gene Name=sodC)

[Back to BioLiP]