MolNFT v1 · #106750 · protein

1.95A resolution structure of bfrb (Q151L) from pseudomonas aeruginosa

4TOB · Bacterioferritin: “1.95A resolution structure of bfrb (Q151L) from pseudomonas aeruginosa”. X-ray diffraction, 1 ligand (HEM), 20 pockets (best druggability 0.73). MolNFT v1 #106750 on GenesisL1: 3D structure, binding sites and…

PDB: 4TOB
Type: protein
Length: 3,720 residues
Chains: 24
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bacterioferritin
EC: 1.16.3.1
UniProt: Q9HY79
Ligands: HEM
Pockets: 20 · best druggability 0.73

Structure

x-ray diffraction · 4 distinct chains · 79% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, N	Bacterioferritin (EC 1.16.3.1)	protein	156	78% helix, 0% strand	Q9HY79
B, C, D, E, G, H, I, J, K, O, P, R, S, T, V, X	Bacterioferritin (EC 1.16.3.1)	protein	155	79% helix, 0% strand	Q9HY79
F, W	Bacterioferritin (EC 1.16.3.1)	protein	156	78% helix, 0% strand	Q9HY79
L, M, Q, U	Bacterioferritin (EC 1.16.3.1)	protein	154	80% helix, 0% strand	Q9HY79

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
MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 24 copies · chains A, X, B, D, C, K, F, E, V, H, G, I, J, O, P, S, L, M, N, W, Q, R, T, 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	209	0.73	0.88	35	HEM
2	212	0.72	0.87	29	HEM
3	214	0.72	0.87	33	HEM
4	228	0.72	0.87	35	HEM
5	213	0.72	0.87	31	HEM

Interfaces

72 interfaces between chains.

O–P · 905 Å² buried · 12 hydrogen bonds · protein-protein
E–F · 904 Å² buried · 12 hydrogen bonds · protein-protein
K–L · 902 Å² buried · 12 hydrogen bonds · protein-protein
W–X · 901 Å² buried · 12 hydrogen bonds · protein-protein
G–H · 895 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

4TOB · 1.95A resolution structure of BfrB (Q151L) 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 4TOB · PDBe 4TOB · UniProt Q9HY79

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