Structure of PDB 3k9s Chain B Binding Site BS02

Receptor Information
>3k9s Chain B (length=205) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYTLPSLPYAYDALEPHFDKQTMEIHHTKHHQTYVNNANAALESLPEFAN
LPVEELITKLDQLPADKKTVLRNNAGGHANHSLFWKGLKKGTTLQGDLKA
AIERDFGSVDNFKAEFEKAAASRFGSGWAWLVLKGDKLAVVSTANQDSPL
MGEAISGASGFPIMGLDVWEHAYYLKFQNRRPDYIKEFWNVVNWDEAAAR
FAAKK
Ligand information
Ligand IDPEO
InChIInChI=1S/H2O2/c1-2/h1-2H
InChIKeyMHAJPDPJQMAIIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385
OpenEye OEToolkits 2.0.7		OO
FormulaH2 O2
NameHYDROGEN PEROXIDE
ChEMBLCHEMBL71595
DrugBankDB11091
ZINC
PDB chain3k9s Chain B Residue 207 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3k9s Structural Analysis of Peroxide-Soaked MnSOD Crystals Reveals Side-On Binding of Peroxide to Active-Site Manganese.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		H81 Q146 D167 W169 H171
Binding residue
(residue number reindexed from 1)		H81 Q146 D167 W169 H171
Annotation score5
Enzymatic activity
Enzyme Commision number 1.15.1.1: superoxide dismutase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004784 superoxide dismutase activity
GO:0016209 antioxidant activity
GO:0016491 oxidoreductase activity
GO:0030145 manganese ion binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
Biological Process
GO:0006801 superoxide metabolic process
GO:0006979 response to oxidative stress
GO:0009408 response to heat
GO:0010447 response to acidic pH
GO:0019430 removal of superoxide radicals
GO:0071291 cellular response to selenium ion
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3k9s, PDBe:3k9s, PDBj:3k9s
PDBsum3k9s
PubMed20417642
UniProtP00448|SODM_ECOLI Superoxide dismutase [Mn] (Gene Name=sodA)

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