Structure of PDB 4xgs Chain B Binding Site BS01

Receptor Information

>4xgs Chain B (length=164) Species: 83333 (Escherichia coli K-12)

HLKPEMIEKLNEQMNLELYSSLLYQQMSAWCSYHTFEGAAAFLRRHAQEE
MTHMQRLFDYLTDTGNLPRINTVESPFAEYSSLDELFQETYKLEQLITQK
INELAHAAMTNQDYPTFNFLQWYVSEQHEEEKLFKSIIDKLSLAGKSGEG
LYFIDKELSTLDTQ

Ligand information

• Ligand ID: OFO
• InChI: InChI=1S/2Fe.H2O.O/h;;1H2;/q;+1;;/p-1
• InChIKey: HLBQEWFJZLSCMX-UHFFFAOYSA-M
• SMILES:
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: O[Fe]O[Fe]
• Formula: Fe2 H O2
• Name: HYDROXY DIIRON-OXO MOIETY
• PDB chain: 4xgs Chain B Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4xgs Structural Basis of Novel Iron-Uptake Route and Reaction Intermediates in Ferritins from Gram-Negative Bacteria
• Resolution: 2.25 Å
• Binding residue (original residue number in PDB): E17 E50 H53 E94 Q127 E130
• Binding residue (residue number reindexed from 1): E17 E50 H53 E94 Q127 E130
• Annotation score: 2

Enzymatic activity

• Enzyme Commision number: 1.16.3.2: bacterial non-heme ferritin.

Gene Ontology

Molecular Function

• GO:0004322 ferroxidase activity
• GO:0008198 ferrous iron binding
• GO:0008199 ferric iron binding
• GO:0016491 oxidoreductase activity
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding
• GO:0140315 iron ion sequestering activity

Biological Process

• GO:0006826 iron ion transport
• GO:0006879 intracellular iron ion homeostasis
• GO:0006880 intracellular sequestering of iron ion
• GO:0006974 DNA damage response
• GO:0006979 response to oxidative stress
• GO:0071281 cellular response to iron ion

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:4xgs, PDBe:4xgs, PDBj:4xgs
• PDBsum: 4xgs
• PubMed: 27777002
• UniProt: P0A998|FTNA_ECOLI Bacterial non-heme ferritin (Gene Name=ftnA)