2.20A resolution structure of iron bound bfrb (D34F) from pseudomonas aeruginosa

Structure

x-ray diffraction · 2 distinct chains · 79% helix, 0% strand (DSSP).

Ligands and binding sites

• HEM · Protoporphyrin IX containing Fe · ligand · 12 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X
• FE2 · Fe (II) ion · metal · 144 copies · chains A, X, L, B, D, H, C, U, K, F, E, J, V, G, W, I, O, P, Q, S, T, M, N, R
• K · Potassium ion · metal · 6 copies · chains A, L, M, X, B, D, F, H, C, K, S, U, E, J, Q, V, G, I, O, W, N, P, R, T
• SO4 · Sulfate ion · ion · 8 copies · chains A, H, W, B, C, L, D, E, U, F, G, J, I, P, Q, K, M, T, R, S, V, N, O, X

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

72 interfaces between chains.

• E–F · 945 Ų buried · 12 hydrogen bonds · protein-protein
• O–P · 944 Ų buried · 13 hydrogen bonds · protein-protein
• S–T · 942 Ų buried · 12 hydrogen bonds · protein-protein
• C–D · 940 Ų buried · 12 hydrogen bonds · protein-protein
• A–B · 940 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

• 4TOE · 2.20A resolution structure of Iron Bound BfrB (D34F) from Pseudomonas aeruginosa · the same entry in another collection · chain A against A, 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 Q9HY79
• Elsewhere: RCSB PDB 4TOE · PDBe 4TOE · UniProt Q9HY79