MolNFT v1 · #110049 · protein

E. COLI bfr variant Y45F

4XKS · Bacterioferritin: “E. COLI bfr variant Y45F”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.71). MolNFT v1 #110049 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4XKS
Type: protein
Length: 1,884 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bacterioferritin
EC: 1.16.3.1
UniProt: P0ABD3
Ligands: SO4
Pockets: 20 · best druggability 0.71

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	Bacterioferritin (EC 1.16.3.1)	protein	157	78% helix, 0% strand	P0ABD3

Ligands and binding sites

SO4 · Sulfate ion · ion · 12 copies · chains A, G, K, B, C, I, D, E, L, F, H

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

Pockets

20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	212	0.71	0.87	34	empty
2	173	0.71	0.88	34	empty
3	216	0.71	0.86	39	empty
4	200	0.71	0.87	35	empty
5	264	0.70	0.85	20	empty

Interfaces

26 interfaces between chains.

A–B · 962 Å² buried · 14 hydrogen bonds · protein-protein
G–H · 959 Å² buried · 13 hydrogen bonds · protein-protein
C–D · 958 Å² buried · 14 hydrogen bonds · protein-protein
E–F · 954 Å² buried · 14 hydrogen bonds · protein-protein
I–J · 950 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

4XKS · E. coli BFR variant Y45F · the same entry in another collection · chain L against L, 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 P0ABD3
Elsewhere: RCSB PDB 4XKS · PDBe 4XKS · UniProt P0ABD3

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