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Structure of mineralized bfrb from pseudomonas aeruginosa to 2.1A resolution

Analyse Structure of mineralized bfrb from pseudomonas aeruginosa to 2.1A resolution in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3IS7
Type: protein
Length: 3,699 residues
Chains: 24
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bacterioferritin
UniProt: Q9HY79
Ligands: HEM, K
Pockets: 20 · best druggability 0.73

Structure

x-ray diffraction · 3 distinct chains · 80% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bacterioferritin	protein	153	80% helix, 0% strand	Q9HY79
B, D, E, F, G, I, J, K, L, M, N, O, P, Q, S, T, U, V, X	Bacterioferritin	protein	154	79% helix, 0% strand	Q9HY79
C, H, R, W	Bacterioferritin	protein	155	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
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

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	239	0.73	0.87	33	HEM
2	213	0.73	0.88	31	HEM
3	221	0.72	0.88	33	HEM
4	214	0.72	0.88	32	HEM
5	214	0.72	0.88	34	HEM

Interfaces

72 interfaces between chains.

K–L · 915 Å² buried · 13 hydrogen bonds · protein-protein
M–N · 904 Å² buried · 12 hydrogen bonds · protein-protein
G–H · 903 Å² buried · 12 hydrogen bonds · protein-protein
S–T · 902 Å² buried · 12 hydrogen bonds · protein-protein
Q–R · 900 Å² buried · 13 hydrogen bonds · protein-protein

Compared structures

3IS7 · Structure of mineralized Bfrb from Pseudomonas aeruginosa to 2.1A Resolution · 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 3IS7 · PDBe 3IS7 · UniProt Q9HY79

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