MolNFT v1 · #26627 · protein

Crystal structure of thiamine biosynthesis protein from pseudomonas aeruginosa

1WV2 · Thiazole biosynthesis protein thig: “Crystal structure of thiamine biosynthesis protein from pseudomonas aeruginosa”. X-ray diffraction, 4 pockets (best druggability 0.65). MolNFT v1 #26627 on GenesisL1: 3D structure, binding sites…

PDB: 1WV2
Type: protein
Length: 453 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thiazole biosynthesis protein thig
UniProt: Q9I6B4
Pockets: 4 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Thiazole biosynthesis protein thig	protein	230	40% helix, 19% strand	Q9I6B4
B	Thiazole biosynthesis protein thig	protein	223	39% helix, 18% strand	Q9I6B4

Pockets

4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	200	0.65	0.84	35	empty
2	180	0.64	0.84	34	empty
3	89	0.62	0.89	32	empty
4	193	0.51	0.77	31	empty

Interfaces

1 interface between chains.

A–B · 917 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

1WV2 · Crystal structure of thiamine biosynthesis protein from Pseudomonas Aeruginosa · the same entry in another collection · chain A against A, TM-score 1.00
Q9I6B4 · AlphaFold monomer V2.0 prediction for thiazole synthase (Q9I6B4) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 Q9I6B4
Elsewhere: RCSB PDB 1WV2 · PDBe 1WV2 · UniProt Q9I6B4

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