› 1ly4

X-ray diffraction
2.1Å resolution

Analysis of quinazoline and PYRIDO[2,3D]PYRIMIDINE N9-C10 reversed bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase

Released:
DOI: 10.2210/pdb1ly4/pdb
PDB entry 1ly4 coloured by chain, front view.
PDB entry 1ly4 coloured by chain, side view.
PDB entry 1ly4 coloured by chain, top view.
Source organism: Pneumocystis carinii
Primary publication:
Analysis of quinazoline and pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase.
Cody V, Galitsky N, Luft JR, Pangborn W, Queener SF, Gangjee A
Acta Crystallogr D Biol Crystallogr 58 1393-9 (2002)
PMID: 12198294

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-147657 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chain: A
Molecule details ›
Chain: A
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 NAP 1 x NAP
1 bound ligand:
Ligand COQ 1 x COQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P21
Unit cell:
a: 37.047Å b: 43.128Å c: 60.73Å
α: 90° β: 94.6° γ: 90°
R-values:
R R work R free
0.193 0.193 not available
Expression system: Escherichia coli

Quick links

Citations

6 citation in other articles

New insights into DHFR interactions: analysis of Pneumocystis carinii and mouse DHFR complexes with NADPH and two highly potent 5-(omega-carboxy(alkyloxy) trimethoprim derivatives reveals conformational correlations with activity and novel parallel ring stacking interactions.
Cody et al. (2006)
5 more