1.50A resolution structure of bfrb (L68A E81A) from pseudomonas aeruginosa

Structure

x-ray diffraction · 1 distinct chain · 78% 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
• NA · Sodium ion · metal · 24 copies · chains A, Q, F, B, J, C, W, D, T, R, E, O, I, H, G, V, P, K, L, N, X, M, S, U
• K · Potassium ion · metal · 6 copies · chains A, F, H, Q, B, C, J, W, D, R, T, U, E, I, K, O, G, M, P, V, L, N, S, X
• MRD · (4R)-2-methylpentane-2,4-diol · additive · 24 copies · chains A, J, B, Q, D, E, F, O, G, H, V, I, W, K, N, M, S, P, R, U, T, X, L, C
• MPD · (4S)-2-methyl-2,4-pentanediol · additive · 9 copies · chains C, T, I, W, E, J, K, N, L, D, Q, H, R, S, U

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.

• Q–R · 902 Ų buried · 12 hydrogen bonds · protein-protein
• M–N · 900 Ų buried · 11 hydrogen bonds · protein-protein
• K–L · 897 Ų buried · 12 hydrogen bonds · protein-protein
• E–F · 897 Ų buried · 11 hydrogen bonds · protein-protein
• C–D · 895 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

• 5D8X · 1.50A resolution structure of BfrB (L68A E81A) 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 5D8X · PDBe 5D8X · UniProt Q9HY79