Structure of PDB 2bkb Chain A Binding Site BS01

Receptor Information
>2bkb Chain A (length=192) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFELPALPYAKDALAPHISAETIEYHYGKHHQTYVTNLNNLIKGTAFEGK
SLEEIIRSSEGGVFNNAAEVWNHTFYWNCLAPNAGGEPTGKVAEAIAASF
GSFADFKAQFTDAAIKNFGSGWTWLVKNSDGKLAIVSTSNAGTPLTTDAT
PLLTVDVWEHAYYIDYRNARPGYLEHFWALVNWEFVAKNLAA
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain2bkb Chain A Residue 1193 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2bkb The Crucial Importance of Chemistry in the Structure-Function Link: Manipulating Hydrogen Bonding in Iron-Containing Superoxide Dismutase.
Resolution1.7 Å
Binding residue
(original residue number in PDB)
H26 H73 D156 H160
Binding residue
(residue number reindexed from 1)
H26 H73 D156 H160
Annotation score1
Enzymatic activity
Enzyme Commision number 1.15.1.1: superoxide dismutase.
Gene Ontology
Molecular Function
GO:0004784 superoxide dismutase activity
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0000303 response to superoxide
GO:0006801 superoxide metabolic process
GO:0019430 removal of superoxide radicals
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016020 membrane

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Biological Process

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Cellular Component
External links
PDB RCSB:2bkb, PDBe:2bkb, PDBj:2bkb
PDBsum2bkb
PubMed16430211
UniProtP0AGD3|SODF_ECOLI Superoxide dismutase [Fe] (Gene Name=sodB)

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