› 3mel

X-ray diffraction
2.79Å resolution

Crystal Structure of Thiamin pyrophosphokinase family protein from Enterococcus faecalis, Northeast Structural Genomics Consortium Target EfR150

Released:
DOI: 10.2210/pdb3mel/pdb
PDB entry 3mel coloured by chain, front view.
PDB entry 3mel coloured by chain, side view.
PDB entry 3mel coloured by chain, top view.
Source organism: Enterococcus faecalis
Entry authors: Kuzin A, Abasidze M, Seetharaman J, Mao M, Xiao R, Ciccosanti C, Foote EL, Maglaqui M, Zhao L, Everett JK, Nair R, Acton TB, Rost B, Montelione GT, Hunt JF, Tong L, Northeast Structural Genomics Consortium (NESG)

Function and Biology Details

Reaction catalysed: 
ATP + thiamine = AMP + thiamine diphosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-182734 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
thiamine diphosphokinase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 222 amino acids
Theoretical weight: 25.38 KDa
Source organism: Enterococcus faecalis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q82ZE3 (Residues: 1-214; Coverage: 100%)
Gene name: EF_3117
Sequence domains:
Structure domains: Thiamin pyrophosphokinase, catalytic domain

Ligands and Environments

3 bound ligands:
Ligand TPP 2 x TPP
Ligand MG 11 x MG
Ligand PO4 2 x PO4
1 modified residue:
Ligand MSE 12 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X4C
Spacegroup: P21
Unit cell:
a: 62.286Å b: 102.112Å c: 94.277Å
α: 90° β: 98.13° γ: 90°
R-values:
R R work R free
0.211 0.208 0.275
Expression system: Escherichia coli BL21(DE3)

Quick links