› 4hog

X-ray diffraction
2Å resolution

Candida glabrata dihydrofolate reductase complexed with NADPH and 5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine (UCP111H)

Released:
DOI: 10.2210/pdb4hog/pdb
PDB entry 4hog coloured by chain, front view.
PDB entry 4hog coloured by chain, side view.
PDB entry 4hog coloured by chain, top view.
Source organism: [Candida] glabrata CBS 138
Primary publication:
Propargyl-linked antifolates are dual inhibitors of Candida albicans and Candida glabrata.
G-Dayanandan N, Paulsen JL, Viswanathan K, Keshipeddy S, Lombardo MN, Zhou W, Lamb KM, Sochia AE, Alverson JB, Priestley ND, Wright DL, Anderson AC
J Med Chem 57 2643-56 (2014)
PMID: 24568657

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 CBS 138
Expression system: Escherichia coli BL21(DE3)
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
2 bound ligands:
Ligand 18H 2 x 18H
Ligand CL 4 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X4C
Spacegroup: P41
Unit cell:
a: 42.828Å b: 42.828Å c: 229.948Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.237 0.185 0.237
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Antivitamins for Medicinal Applications.
Zelder et al. (2015)
10 other articles

1 mention without citation

Propargyl-linked antifolates are dual inhibitors of Candida albicans and Candida glabrata.
G-Dayanandan et al. (2014)