Structure of PDB 6nll Chain I Binding Site BS02

Receptor Information

>6nll Chain I (length=155) Species: 208964 (Pseudomonas aeruginosa PAO1)

MKGDKKVIQHLNKILGNELIAINQYFLHSRMWNDWGLKRLGAHEYHESID
EMKHADKLIERILFLEGLPNLQDLGKLLIGENTQEMLQCDLNLELKATKD
LREAIVHCEQVHDYVSRDLLKDILESEEEHIDYLETQLGLIQKVGLENYL
QSHMH

Ligand information

• Ligand ID: FE2
• InChI: InChI=1S/Fe/q+2
• InChIKey: CWYNVVGOOAEACU-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Fe+2]
  CACTVS 3.341: [Fe++]
• Formula: Fe
• Name: FE (II) ION
• DrugBank: DB14510
• PDB chain: 6nll Chain D Residue 205

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6nll Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): N148 Q151
• Binding residue (residue number reindexed from 1): N148 Q151
• 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
• GO:0070288 ferritin complex

External links

• PDB: RCSB:6nll, PDBe:6nll, PDBj:6nll
• PDBsum: 6nll
• PubMed: 31038945
• UniProt: Q9HY79