› 3s7a

X-ray diffraction
1.8Å resolution

Human dihydrofolate reductase binary complex with PT684

Released:
DOI: 10.2210/pdb3s7a/pdb
PDB entry 3s7a coloured by chain, front view.
PDB entry 3s7a coloured by chain, side view.
PDB entry 3s7a coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural analysis of human dihydrofolate reductase as a binary complex with the potent and selective inhibitor 2,4-diamino-6-{2'-O-(3-carboxypropyl)oxydibenz[b,f]-azepin-5-yl}methylpteridine reveals an unusual binding mode.
Cody V, Pace J, Nowak J
Acta Crystallogr D Biol Crystallogr 67 875-80 (2011)
PMID: 21931219

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

2 bound ligands:
Ligand SO4 5 x SO4
Ligand 684 1 x 684
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P212121
Unit cell:
a: 54.588Å b: 55.106Å c: 64.827Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.239 0.237 0.284
Expression system: Escherichia coli

Quick links

Citations

2 citation in other articles

Controlling enzyme inhibition using an expanded set of genetically encoded amino acids.
Zheng et al. (2013)
1 more

2 mentions without citation

Preservation of protein dynamics in dihydrofolate reductase evolution.
Francis et al. (2013)
1 more