› 5cc8

X-ray diffraction
1.75Å resolution

Structure of thiamine-monophosphate kinase from Acinetobacter baumannii in complex with AMPPNP

Released:
DOI: 10.2210/pdb5cc8/pdb
PDB entry 5cc8 coloured by chain, front view.
PDB entry 5cc8 coloured by chain, side view.
PDB entry 5cc8 coloured by chain, top view.
Source organism: Acinetobacter baumannii 6013150
Primary publication:
Crystal structures of thiamine monophosphate kinase from Acinetobacter baumannii in complex with substrates and products.
Sullivan AH, Dranow DM, Horanyi PS, Lorimer DD, Edwards TE, Abendroth J
Sci Rep 9 4392 (2019)
PMID: 30867460

Function and Biology Details

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-165486 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thiamine-monophosphate kinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 313 amino acids
Theoretical weight: 34.36 KDa
Source organism: Acinetobacter baumannii 6013150
Expression system: Escherichia coli BL21(DE3)
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand ANP 2 x ANP
Ligand MG 6 x MG
Ligand CL 2 x CL
Ligand K 4 x K
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P21212
Unit cell:
a: 87.14Å b: 93.76Å c: 72.49Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.161 0.159 0.194
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 citations in other articles

The ThiL enzyme is a valid antibacterial target essential for both thiamine biosynthesis and salvage pathways in Pseudomonas aeruginosa.
Kim et al. (2020)

1 mention without citation

Crystal structures of thiamine monophosphate kinase from Acinetobacter baumannii in complex with substrates and products.
Sullivan et al. (2019)