› 3kfy

X-ray diffraction
2.08Å resolution

Dynamic switching and partial occupancies of a small molecule inhibitor complex of DHFR

Released:
DOI: 10.2210/pdb3kfy/pdb
PDB entry 3kfy coloured by chain, front view.
PDB entry 3kfy coloured by chain, side view.
PDB entry 3kfy coloured by chain, top view.
Source organism: Escherichia coli K-12
Entry authors: Collins EJ, Lee AL, Carroll MJ, Gromova AV, Miller KR, Singleton SF

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-142189 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chain: A
Molecule details ›
Chain: A
Length: 159 amino acids
Theoretical weight: 18.02 KDa
Source organism: Escherichia coli K-12
UniProt:
  • Canonical: P0ABQ4 (Residues: 1-159; Coverage: 100%)
Gene names: JW0047, b0048, folA, tmrA
Sequence domains: Dihydrofolate reductase
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments


Cofactor: Ligand NDP 1 x NDP
2 bound ligands:
Ligand JZM 1 x JZM
Ligand CA 3 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 34.23Å b: 44.89Å c: 98.01Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.197 0.194 0.243

Quick links