Crystal structure of E. COLI bacterioferritin (bfr) after a 65 minute (aerobic) exposure to FE(II) revealing a possible mu-oxo BRIDGE/MU-hydroxy bridged diiron intermediate at the ferroxidase centre. (FE(III)-O-FE(III)- bfr).

Structure

x-ray diffraction · 1 distinct chain · 78% helix, 0% strand (DSSP).

Ligands and binding sites

• HEM · Protoporphyrin IX containing Fe · ligand · 6 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
• FE2 · Fe (II) ion · metal · 24 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
• SO4 · Sulfate ion · ion · 16 copies · chains A, J, B, C, H, D, E, F, I, K, G, L
• UNK · Unknown · ion · 12 copies · chains A, B, C, D, E, F, G, H, I, J, K, L

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Interfaces

24 interfaces between chains.

• K–L · 952 Ų buried · 14 hydrogen bonds · protein-protein
• G–H · 947 Ų buried · 14 hydrogen bonds · protein-protein
• A–B · 947 Ų buried · 14 hydrogen bonds · protein-protein
• E–F · 945 Ų buried · 13 hydrogen bonds · protein-protein
• C–D · 944 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

• 3E1N · Crystal structure of E. coli Bacterioferritin (BFR) after a 65 minute (aerobic) exposure… · the same entry in another collection · chain J against J, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P0ABD3
• Elsewhere: RCSB PDB 3E1N · PDBe 3E1N · UniProt P0ABD3