› 1eye

X-ray diffraction
1.7Å resolution

1.7 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF 6-HYDROXYMETHYL-7,8-DIHYDROPTEROATE SYNTHASE (DHPS) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH 6-HYDROXYMETHYLPTERIN MONOPHOSPHATE

Released:
DOI: 10.2210/pdb1eye/pdb
PDB entry 1eye coloured by chain, front view.
PDB entry 1eye coloured by chain, side view.
PDB entry 1eye coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Crystal structure of Mycobacterium tuberculosis 7,8-dihydropteroate synthase in complex with pterin monophosphate: new insight into the enzymatic mechanism and sulfa-drug action.
Baca AM, Sirawaraporn R, Turley S, Sirawaraporn W, Hol WG
J Mol Biol 302 1193-212 (2000)
PMID: 11007651

Function and Biology Details

Reaction catalysed: 
6-hydroxymethyl-7,8-dihydropterin diphosphate + 4-aminobenzoate = diphosphate + dihydropteroate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161851 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydropteroate synthase Chain: A
Molecule details ›
Chain: A
Length: 280 amino acids
Theoretical weight: 28.87 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WND1 (Residues: 1-280; Coverage: 100%)
Gene names: MTCY07H7B.14, Rv3608c, folP1
Sequence domains: Pterin binding enzyme
Structure domains: Dihydropteroate synthase-like

Ligands and Environments

2 bound ligands:
Ligand MG 1 x MG
Ligand PMM 1 x PMM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P3221
Unit cell:
a: 62.9Å b: 62.9Å c: 121.4Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.185 0.185 0.243
Expression system: Escherichia coli

Quick links

Citations

16 review citations

The folic acid biosynthesis pathway in bacteria: evaluation of potential for antibacterial drug discovery.
Bermingham et al. (2002)
15 more

13 mentions without citation

Predictive Power of In Silico Approach to Evaluate Chemicals against M. tuberculosis: A Systematic Review.
Timo et al. (2019)
12 more