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Crystal structure of thiamine phosphate pyrophosphorylase (BT_0647) from bacteroides thetaiotaomicron. northeast structural genomics consortium target BTR268

Analyse Crystal structure of thiamine phosphate pyrophosphorylase (BT_0647) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3CEU
Type: protein
Length: 395 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thiamine phosphate pyrophosphorylase
UniProt: Q8AA18
Pockets: 4 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Thiamine phosphate pyrophosphorylase	protein	198	36% helix, 17% strand	Q8AA18
B	Thiamine phosphate pyrophosphorylase	protein	197	37% helix, 18% strand	Q8AA18

Pockets

4 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	579	0.68	0.77	61	empty
2	86	0.33	0.74	20	empty
3	83	0.32	0.73	22	empty
4	54	0.27	0.74	15	empty

Interfaces

1 interface between chains.

A–B · 555 Å² buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

3CEU · Crystal structure of thiamine phosphate pyrophosphorylase (BT_0647) from Bacteroides… · 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 Q8AA18
Elsewhere: RCSB PDB 3CEU · PDBe 3CEU · UniProt Q8AA18

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