› 3eel

X-ray diffraction
1.95Å resolution

Candida glabrata Dihydrofolate Reductase complexed with 2,4-diamino-5-[3-methyl-3-(3-methoxy-5-(3,5-dimethylphenyl)phenyl)prop-1-ynyl]-6-methylpyrimidine(UCP11153TM) and NADPH

Released:
DOI: 10.2210/pdb3eel/pdb
PDB entry 3eel coloured by chain, front view.
PDB entry 3eel coloured by chain, side view.
PDB entry 3eel coloured by chain, top view.
Source organism: [Candida] glabrata
Primary publication:
Probing the active site of Candida glabrata dihydrofolate reductase with high resolution crystal structures and the synthesis of new inhibitors.
Liu J, Bolstad DB, Smith AE, Priestley ND, Wright DL, Anderson AC
Chem Biol Drug Des 73 62-74 (2009)
PMID: 19152636

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 53T 2 x 53T
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: P41
Unit cell:
a: 42.83Å b: 42.83Å c: 230.984Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.174 0.171 0.243
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Trimethoprim and other nonclassical antifolates an excellent template for searching modifications of dihydrofolate reductase enzyme inhibitors.
Wróbel et al. (2020)
11 other articles

2 mentions without citation

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