MolNFT v1 · #91264 · protein

X-ray crystal structure of a putative thioredoxin reductase from burkholderia cenocepacia

4F82: “X-ray crystal structure of a putative thioredoxin reductase from burkholderia cenocepacia”. X-ray diffraction, 5 pockets (best druggability 0.55). MolNFT v1 #91264 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4F82
Type: protein
Length: 340 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thioredoxin reductase
UniProt: B4E5Y6
Pockets: 5 · best druggability 0.55

Structure

x-ray diffraction · 2 distinct chains · 29% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Thioredoxin reductase	protein	171	29% helix, 29% strand	B4E5Y6
B	Thioredoxin reductase	protein	169	30% helix, 29% strand	B4E5Y6

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	137	0.55	0.82	24	empty
2	120	0.48	0.80	23	empty
3	92	0.44	0.80	22	empty
4	86	0.41	0.78	20	empty
5	76	0.38	0.77	18	empty

Interfaces

1 interface between chains.

A–B · 775 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

4F82 · X-ray crystal structure of a putative thioredoxin reductase from Burkholderia cenocepacia · 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 B4E5Y6
Elsewhere: RCSB PDB 4F82 · PDBe 4F82 · UniProt B4E5Y6

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