Structure of PDB 2wtl Chain B Binding Site BS01

Receptor Information

>2wtl Chain B (length=161) Species: 83332 (Mycobacterium tuberculosis H37Rv)

QGDPDVLRLLNEQLTSELTAINQYFLHSKMQDNWGFTELAAHTRAESFDE
MRHAEEITDRILLLDGLPNYQRIGSLRIGQTLREQFEADLAIEYDVLNRL
KPGIVMCREKQDTTSAVLLEKIVADEEEHIDYLETQLELMDKLGEELYSA
QCVSRPPTSAW

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: 2wtl Chain B Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2wtl Crystal Structure of Bfra from Mycobacterium Tuberculosis:Incorporation of Selenomethionine Results in Cleavage and Demetallation of Haem
• Resolution: 2.59 Å
• Binding residue (original residue number in PDB): E18 E51 E127
• Binding residue (residue number reindexed from 1): E17 E50 E126
• 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:0010039 response to iron ion
• GO:0034755 iron ion transmembrane transport

Cellular Component

• GO:0005576 extracellular region
• GO:0005737 cytoplasm
• GO:0005829 cytosol
• GO:0005886 plasma membrane

External links

• PDB: RCSB:2wtl, PDBe:2wtl, PDBj:2wtl
• PDBsum: 2wtl
• PubMed: 19946376
• UniProt: P9WPQ9|BFR_MYCTU Bacterioferritin BfrA (Gene Name=bfr)