› 4m6j

X-ray diffraction
1.2Å resolution

Crystal structure of human dihydrofolate reductase (DHFR) bound to NADPH

Released:
DOI: 10.2210/pdb4m6j/pdb
PDB entry 4m6j coloured by chain, front view.
PDB entry 4m6j coloured by chain, side view.
PDB entry 4m6j coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Divergent evolution of protein conformational dynamics in dihydrofolate reductase.
Bhabha G, Ekiert DC, Jennewein M, Zmasek CM, Tuttle LM, Kroon G, Dyson HJ, Godzik A, Wilson IA, Wright PE
OpenAccess logo Nat Struct Mol Biol 20 1243-9 (2013)
PMID: 24077226

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-523452 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chain: A
Molecule details ›
Chain: A
Length: 187 amino acids
Theoretical weight: 21.48 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00374 (Residues: 1-187; Coverage: 100%)
Gene name: DHFR
Sequence domains: Dihydrofolate reductase
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments


Cofactor: Ligand NDP 1 x NDP
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: C2221
Unit cell:
a: 38.958Å b: 65.525Å c: 152.251Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.164 0.163 0.184
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

15 review citations

Integrative, dynamic structural biology at atomic resolution--it's about time.
van den Bedem et al. (2015)
14 more

12 mentions without citation

OpenMM 7: Rapid development of high performance algorithms for molecular dynamics.
Eastman et al. (2017)
11 more