MolNFT v1 · #106748 · protein

2.0A resolution structure of bfrb (N148L) from pseudomonas aeruginosa

4TO9 · Bacterioferritin: “2.0A resolution structure of bfrb (N148L) from pseudomonas aeruginosa”. X-ray diffraction, 2 ligands (HEM, K), 20 pockets (best druggability 0.73). MolNFT v1 #106748 on GenesisL1: 3D structure, binding sites and…

PDB: 4TO9
Type: protein
Length: 3,712 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, K
Pockets: 20 · best druggability 0.73

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, K, L, M, Q, T, U, V	Bacterioferritin (EC 1.16.3.1)	protein	154	79% helix, 0% strand	Q9HY79
B, C, D, E, F, G, H, I, J, N, O, P, R, S, W, X	Bacterioferritin (EC 1.16.3.1)	protein	155	79% 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
K · Potassium ion · metal · 6 copies · chains A, L, M, X, E, J, Q, V, B, D, F, H, G, I, O, W, N, P, R, T, C, K, 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	223	0.73	0.88	33	HEM
2	208	0.73	0.88	32	HEM
3	223	0.73	0.87	32	HEM
4	217	0.72	0.88	34	HEM
5	212	0.72	0.87	30	HEM

Interfaces

72 interfaces between chains.

C–D · 911 Å² buried · 12 hydrogen bonds · protein-protein
O–P · 906 Å² buried · 12 hydrogen bonds · protein-protein
M–N · 901 Å² buried · 12 hydrogen bonds · protein-protein
S–T · 901 Å² buried · 12 hydrogen bonds · protein-protein
Q–R · 900 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

4TO9 · 2.0A resolution structure of BfrB (N148L) 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 4TO9 · PDBe 4TO9 · UniProt Q9HY79

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