› 3cse

X-ray diffraction
1.6Å resolution

Candida glabrata Dihydrofolate Reductase complexed with NADPH and 2,4-diamino-5-(3-(2,5-dimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120B)

Released:
DOI: 10.2210/pdb3cse/pdb
PDB entry 3cse coloured by chain, front view.
PDB entry 3cse coloured by chain, side view.
PDB entry 3cse coloured by chain, top view.
Source organism: [Candida] glabrata
Primary publication:
Structure-guided development of efficacious antifungal agents targeting Candida glabrata dihydrofolate reductase.
Liu J, Bolstad DB, Smith AE, Priestley ND, Wright DL, Anderson AC
Chem Biol 15 990-6 (2008)
PMID: 18804036

Function and Biology Details

Reaction catalysed: 
5,6,7,8-tetrahydrofolate + NADP(+) = 7,8-dihydrofolate + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-179620 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 227 amino acids
Theoretical weight: 26.43 KDa
Source organism: [Candida] glabrata
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6FPH0 (Residues: 1-217; Coverage: 100%)
Gene name: CAGL0J03894g
Sequence domains: Dihydrofolate reductase
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments


Cofactor: Ligand NDP 2 x NDP
1 bound ligand:
Ligand N22 2 x N22
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: P41
Unit cell:
a: 42.69Å b: 42.69Å c: 230.404Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.183 0.181 0.232
Expression system: Escherichia coli

Quick links

Citations

5 review citations

New techniques in antibiotic discovery and resistance: Raman spectroscopy.
Carey et al. (2015)
4 more

4 mentions without citation

Antifolate agents: a patent review (2006 - 2010).
Wright et al. (2011)
3 more