› 4x5h

X-ray diffraction
1.9Å resolution

ecDHFR complexed with folate and NADP+ at 500 MPa

Released:
DOI: 10.2210/pdb4x5h/pdb
PDB entry 4x5h coloured by chain, front view.
PDB entry 4x5h coloured by chain, side view.
PDB entry 4x5h coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
High-pressure protein crystal structure analysis of Escherichia coli dihydrofolate reductase complexed with folate and NADP
Nagae T, Yamada H, Watanabe N
Acta Crystallogr D Struct Biol 74 895-905 (2018)
PMID: 30198899

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: 162 amino acids
Theoretical weight: 18.3 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli BL21(DE3)
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 NAP 1 x NAP
2 bound ligands:
Ligand FOL 1 x FOL
Ligand BME 1 x BME
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE AR-NW12A
Spacegroup: C2
Unit cell:
a: 74.182Å b: 58.636Å c: 38.284Å
α: 90° β: 106.78° γ: 90°
R-values:
R R work R free
0.163 0.16 0.222
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

8 citation in other articles

Effect of X-ray free-electron laser-induced shockwaves on haemoglobin microcrystals delivered in a liquid jet.
Grünbein et al. (2021)
7 more

1 mention without citation

High-pressure protein crystal structure analysis of Escherichia coli dihydrofolate reductase complexed with folate and NADP.
Nagae et al. (2018)