› 7d49

X-ray diffraction
1.65Å resolution

X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5

Released:
DOI: 10.2210/pdb7d49/pdb
PDB entry 7d49 coloured by chain, ensemble of 80 models, front view.
PDB entry 7d49 coloured by chain, ensemble of 80 models, side view.
PDB entry 7d49 coloured by chain, ensemble of 80 models, top view.
Source organism: Escherichia coli K-12
Primary publication:
Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis
Wan Q, Bennett BC, Wymore T, Li Z, Wilson MA, Brooks III CL, Langan P, Kovalevsky A, Dealwis CG
ACS Catalysis 11 5873-5884 (2021)

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
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0ABQ4 (Residues: 1-159; Coverage: 100%)
Gene names: JW0047, b0048, folA, tmrA
Sequence domains: Dihydrofolate reductase

Ligands and Environments


Cofactor: Ligand NAP 1 x NAP
1 bound ligand:
Ligand FOL 1 x FOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 34.102Å b: 45.595Å c: 99.113Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.137 0.135 0.17
Expression system: Escherichia coli BL21(DE3)

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