Structure of PDB 3r2r Chain A Binding Site BS01

Receptor Information

>3r2r Chain A (length=154) Species: 287 (Pseudomonas aeruginosa)

MQGHPEVIDYLNTLLTGELAARDQYFIHSRMYEDWGFSKLYERLNHEMEE
ETQHADALLRRILLLEGTPRMRPDDIHPGTTVPEMLEADLKLERHVRAAL
AKGIALCEQHKDFVSRDILKAQLADTEEDHAYWLEQQLGLIARMGLENYL
QSQI

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 3r2r Chain A Residue 155

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3r2r Two distinct ferritin-like molecules in Pseudomonas aeruginosa: the product of the bfrA gene is a bacterial ferritin (FtnA) and not a bacterioferritin (Bfr).
• Resolution: 1.65 Å
• Binding residue (original residue number in PDB): E18 E51 H54
• Binding residue (residue number reindexed from 1): E18 E51 H54
• Annotation score: 5

Enzymatic activity

• Enzyme Commision number: 1.16.3.1: ferroxidase.

Gene Ontology

Molecular Function

• GO:0004322 ferroxidase activity
• GO:0005506 iron ion binding
• GO:0008199 ferric iron binding
• GO:0015093 ferrous iron transmembrane transporter activity
• GO:0016491 oxidoreductase activity
• GO:0020037 heme binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006826 iron ion transport
• GO:0006879 intracellular iron ion homeostasis
• GO:0006880 intracellular sequestering of iron ion
• GO:0034755 iron ion transmembrane transport

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:3r2r, PDBe:3r2r, PDBj:3r2r
• PDBsum: 3r2r
• PubMed: 21574546
• UniProt: Q9HWF9|BFR_PSEAE Bacterioferritin (Gene Name=bfr)