PDBsum entry 3o15

Transferase

PDB id: 3o15

Contents

Protein chain

219 a.a.

Ligands

3NM

IFP

POP

Waters ×212

PDB id:

3o15

Name:

Transferase

Title:

Crystal structure of bacillus subtilis thiamin phosphate synthase complexed with a carboxylated thiazole phosphate

Structure:

Thiamine-phosphate pyrophosphorylase. Chain: a. Synonym: tmp pyrophosphorylase, tmp-ppase, thiamine-phosphate synthase. Engineered: yes

Source:

Bacillus subtilis. Organism_taxid: 1423. Gene: thie. Expressed in: escherichia coli. Expression_system_taxid: 562.

Resolution:

1.95Å R-factor: 0.198 R-free: 0.232

Authors:

K.M.Mcculloch,J.W.Hanes,S.Abdelwahed,N.Mahanta,A.Hazra,K.Ishida, T.P.Begley,S.E.Ealick

Key ref:

K.M.Mcculloch et al. Crystal structure and kinetic characterization of bac subtilis thiamin phosphate synthase with a carboxylat thiazole phosphate. To be published, .

Date:

20-Jul-10 Release date: 27-Jul-11

Protein chain

P39594  (THIE_BACSU) -  Thiamine-phosphate synthase from Bacillus subtilis (strain 168)

Seq: 222 a.a.

Struc: 219 a.a.

Enzyme reactions

• Enzyme class: E.C.2.5.1.3 - thiamine phosphate synthase.
• Reaction:
  1. 2-[(2R,5Z)-2-carboxy-4-methylthiazol-5(2H)-ylidene]ethyl phosphate + 4-amino-2-methyl-5-(diphosphooxymethyl)pyrimidine + 2 H⁺ = thiamine phosphate + CO2 + diphosphate
  2. 2-(2-carboxy-4-methylthiazol-5-yl)ethyl phosphate + 4-amino-2-methyl- 5-(diphosphooxymethyl)pyrimidine + 2 H⁺ = thiamine phosphate + CO2 + diphosphate
  3. 4-methyl-5-(2-phosphooxyethyl)-thiazole + 4-amino-2-methyl-5- (diphosphooxymethyl)pyrimidine + H⁺ = thiamine phosphate + diphosphate

2-[(2R,5Z)-2-carboxy-4-methylthiazol-5(2H)-ylidene]ethyl phosphate + 4-amino-2-methyl-5-(diphosphooxymethyl)pyrimidine + 2 × H(+) = thiamine phosphate + CO2 (Bound ligand (Het Group name = POP) corresponds exactly) + diphosphate (Bound ligand (Het Group name = 3NM) matches with 58.33% similarity)

2-(2-carboxy-4-methylthiazol-5-yl)ethyl phosphate + 4-amino-2-methyl- 5-(diphosphooxymethyl)pyrimidine + 2 × H(+) = thiamine phosphate + CO2 (Bound ligand (Het Group name = POP) corresponds exactly) + diphosphate (Bound ligand (Het Group name = 3NM) matches with 58.33% similarity)

4-methyl-5-(2-phosphooxyethyl)-thiazole + 4-amino-2-methyl-5- (diphosphooxymethyl)pyrimidine + H(+) = thiamine phosphate (Bound ligand (Het Group name = POP) corresponds exactly) + diphosphate (Bound ligand (Het Group name = 3NM) matches with 58.33% similarity)

Molecule diagrams generated from .mol files obtained from the KEGG ftp site