› 1m78

X-ray diffraction
1.71Å resolution

CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE (GW1225)

Released:
DOI: 10.2210/pdb1m78/pdb
PDB entry 1m78 coloured by chain, front view.
PDB entry 1m78 coloured by chain, side view.
PDB entry 1m78 coloured by chain, top view.
Source organism: Candida albicans
Primary publication:
X-ray crystallographic studies of Candida albicans dihydrofolate reductase. High resolution structures of the holoenzyme and an inhibited ternary complex.
Whitlow M, Howard AJ, Stewart D, Hardman KD, Kuyper LF, Baccanari DP, Fling ME, Tansik RL
J Biol Chem 272 30289-98 (1997)
PMID: 9374515

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 domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149838 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 192 amino acids
Theoretical weight: 22.19 KDa
Source organism: Candida albicans
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P22906 (Residues: 1-192; Coverage: 100%)
Gene name: DFR1
Sequence domains: Dihydrofolate reductase
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments


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

Experiments and Validation Details

Entry percentile scores
X-ray source: ELLIOTT GX-21
Spacegroup: P21
Unit cell:
a: 76.91Å b: 67.28Å c: 38.49Å
α: 90° β: 93.07° γ: 90°
R-values:
R R work R free
0.156 0.156 not available
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Protein-Protein Interactions in Candida albicans.
Schoeters et al. (2019)
30 other articles

2 mentions without citation

Significant enhancement of docking sensitivity using implicit ligand sampling.
Xu et al. (2011)
1 more