› 1yho

Solution NMR

Solution structure of human dihydrofolate reductase complexed with trimethoprim and nadph, 25 structures

Released:
DOI: 10.2210/pdb1yho/pdb
PDB entry 1yho coloured by chain, ensemble of 25 models, front view.
PDB entry 1yho coloured by chain, ensemble of 25 models, side view.
PDB entry 1yho coloured by chain, ensemble of 25 models, top view.
Source organism: Homo sapiens
Primary publication:
Solution structure of human dihydrofolate reductase in its complex with trimethoprim and NADPH.
Kovalevskaya NV, Smurnyy YD, Polshakov VI, Birdsall B, Bradbury AF, Frenkiel T, Feeney J
J Biomol NMR 33 69-72 (2005)
PMID: 16222560

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-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 TRR 1 x TRR
No modified residues

Experiments and Validation Details

Entry percentile scores
Refinement method: simulated annealing, molecular dynamics
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Sulfa and trimethoprim-like drugs - antimetabolites acting as carbonic anhydrase, dihydropteroate synthase and dihydrofolate reductase inhibitors.
Capasso et al. (2014)
2 more

10 mentions without citation

Chemical shift prediction for protein structure calculation and quality assessment using an optimally parameterized force field.
Nielsen et al. (2012)
9 more