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Crystal structure of thiamin pyrophosphokinase from geobacillus thermodenitrificans, northeast structural genomics consortium target GTR2

Analyse Crystal structure of thiamin pyrophosphokinase from geobacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3K94
Type: protein
Length: 431 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thiamin pyrophosphokinase
UniProt: A4IM54
Pockets: 4 · best druggability 0.50

Structure

x-ray diffraction · 2 distinct chains · 23% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Thiamin pyrophosphokinase	protein	215	24% helix, 34% strand	A4IM54
B	Thiamin pyrophosphokinase	protein	216	23% helix, 37% strand	A4IM54

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	220	0.50	0.76	28	empty
2	156	0.44	0.75	25	empty
3	102	0.40	0.76	22	empty
4	68	0.37	0.78	17	empty

Modifications

Observed in the structure: 20 modified, 2 disulfide (engineered, oxidation, disulfide).

Compared structures

3K94 · Crystal Structure of Thiamin pyrophosphokinase from Geobacillus thermodenitrificans… · 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 A4IM54
Elsewhere: RCSB PDB 3K94 · PDBe 3K94 · UniProt A4IM54

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