› 3nzd

X-ray diffraction
1.8Å resolution

Structural Analysis of Pneumocystis carinii and Human DHFR Complexes with NADPH and a Series of Five 5-(omega-carboxy(alkyloxy(pyrido[2,3-d]pyrimidine Derivatives

Released:
DOI: 10.2210/pdb3nzd/pdb
PDB entry 3nzd coloured by chain, front view.
PDB entry 3nzd coloured by chain, side view.
PDB entry 3nzd coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural analysis of Pneumocystis carinii and human DHFR complexes with NADPH and a series of five potent 6-[5'-(ω-carboxyalkoxy)benzyl]pyrido[2,3-d]pyrimidine derivatives.
Cody V, Pace J
Acta Crystallogr D Biol Crystallogr 67 1-7 (2011)
PMID: 21206056

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-132447 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chain: A
Molecule details ›
Chain: A
Length: 186 amino acids
Theoretical weight: 21.35 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00374 (Residues: 2-187; Coverage: 100%)
Gene name: DHFR
Sequence domains: Dihydrofolate reductase
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments


Cofactor: Ligand NDP 1 x NDP
1 bound ligand:
Ligand D2Q 1 x D2Q
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: R3
Unit cell:
a: 84.622Å b: 84.622Å c: 77.597Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.167 0.163 0.232
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Utility of the Biosynthetic Folate Pathway for Targets in Antimicrobial Discovery.
Bourne CR. (2014)
1 more

3 mentions without citation

Visualizing ligand molecules in Twilight electron density.
Weichenberger et al. (2013)
2 more