MolNFT v1 · #158150 · protein

1.45 a resolution structure of apo bfrb from pseudomonas aeruginosa

6NLF · Ferroxidase: “1.45 a resolution structure of apo bfrb from pseudomonas aeruginosa”. X-ray diffraction, 1 ligand (K), 20 pockets (best druggability 0.73). MolNFT v1 #158150 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6NLF
Type: protein
Length: 1,872 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ferroxidase
EC: 1.16.3.1
UniProt: Q9HY79
Ligands: K
Pockets: 20 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 78% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H, I, J, K, L	Ferroxidase (EC 1.16.3.1)	protein	156	78% helix, 0% strand	Q9HY79

Ligands and binding sites

K · Potassium ion · metal · 3 copies · chains A, E, J, K, B, C, G, L, D, F, I

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	199	0.73	0.89	33	empty
2	204	0.73	0.88	33	empty
3	219	0.72	0.87	32	empty
4	202	0.72	0.88	31	empty
5	78	0.72	0.96	12	empty

Interfaces

27 interfaces between chains.

H–J · 917 Å² buried · 12 hydrogen bonds · protein-protein
B–E · 910 Å² buried · 12 hydrogen bonds · protein-protein
F–K · 908 Å² buried · 11 hydrogen bonds · protein-protein
C–I · 907 Å² buried · 12 hydrogen bonds · protein-protein
D–H · 559 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

6NLF · 1.45 A resolution structure of apo BfrB 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 6NLF · PDBe 6NLF · UniProt Q9HY79

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