› 4qjz

X-ray diffraction
1.61Å resolution

Pneumocystis carinii dihydrofolate reductase ternary complex with NADPH and the inhibitor 24, (N~6~-METHYL-N~6~-(NAPHTHALEN-1-YL)PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE)

Released:
DOI: 10.2210/pdb4qjz/pdb
PDB entry 4qjz coloured by chain, front view.
PDB entry 4qjz coloured by chain, side view.
PDB entry 4qjz coloured by chain, top view.
Source organism: Pneumocystis carinii
Primary publication:
Structure-activity correlations for three pyrido[2,3-d]pyrimidine antifolates binding to human and Pneumocystis carinii dihydrofolate reductase.
Cody V, Pace J, Namjoshi OA, Gangjee A
Acta Crystallogr F Struct Biol Commun 71 799-803 (2015)
PMID: 26057816

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-147657 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chain: D
Molecule details ›
Chain: D
Length: 206 amino acids
Theoretical weight: 23.92 KDa
Source organism: Pneumocystis carinii
Expression system: Escherichia coli
UniProt:
  • Canonical: P16184 (Residues: 1-206; Coverage: 100%)
Sequence domains: Dihydrofolate reductase
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments


Cofactor: Ligand NDP 1 x NDP
1 bound ligand:
Ligand 33M 1 x 33M
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P21
Unit cell:
a: 36.771Å b: 42.813Å c: 61.114Å
α: 90° β: 95.28° γ: 90°
R-values:
R R work R free
0.206 0.204 0.245
Expression system: Escherichia coli

Quick links

Citations

5 citation in other articles

Host dihydrofolate reductase (DHFR)-directed cycloguanil analogues endowed with activity against influenza virus and respiratory syncytial virus.
Tonelli et al. (2017)
4 more

2 mentions without citation

Structure-activity correlations for three pyrido[2,3-d]pyrimidine antifolates binding to human and Pneumocystis carinii dihydrofolate reductase.
Cody et al. (2015)
1 more