Structure of PDB 2nyb Chain C Binding Site BS02

Receptor Information

>2nyb Chain C (length=192) Species: 562 (Escherichia coli)

SFELPALPYAKDALAPHISAETIEYHYGKHHQTYVTNLNNLIKGTAFEGK
SLEEIIRSSEGGVFNNAAEVWNHTFYWNCLAPNAGGEPTGKVAEAIAASF
GSFADFKAQFTDAAIKNFGSGWTWLVKNSDGKLAIVSTSNAGTPLTTDAT
PLLTVDVWEHAYYIDYRNARPGYLEHFWALVNWEFVAKNLAA

Ligand information

• Ligand ID: O
• InChI: InChI=1S/H2O/h1H2
• InChIKey: XLYOFNOQVPJJNP-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: O
  CACTVS 3.341: [O]
• Formula: O
• Name: OXYGEN ATOM
• ChEMBL: CHEMBL1098659
• DrugBank: DB09145
• PDB chain: 2nyb Chain C Residue 194

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2nyb How Can a Single Second Sphere Amino Acid Substitution Cause Reduction Midpoint Potential Changes of Hundreds of Millivolts?
• Resolution: 1.1 Å
• Binding residue (original residue number in PDB): H73 D156 W158 H160
• Binding residue (residue number reindexed from 1): H73 D156 W158 H160
• Annotation score: 1

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

External links

• PDB: RCSB:2nyb, PDBe:2nyb, PDBj:2nyb
• PDBsum: 2nyb
• PubMed: 17628062
• UniProt: P0AGD3|SODF_ECOLI Superoxide dismutase [Fe] (Gene Name=sodB)