› 3ql0

X-ray diffraction
1.6Å resolution

Crystal structure of N23PP/S148A mutant of E. coli dihydrofolate reductase

Released:
DOI: 10.2210/pdb3ql0/pdb
PDB entry 3ql0 coloured by chain, front view.
PDB entry 3ql0 coloured by chain, side view.
PDB entry 3ql0 coloured by chain, top view.
Source organism: Escherichia coli UTI89
Primary publication:
A dynamic knockout reveals that conformational fluctuations influence the chemical step of enzyme catalysis.
Bhabha G, Lee J, Ekiert DC, Gam J, Wilson IA, Dyson HJ, Benkovic SJ, Wright PE
Science 332 234-8 (2011)
PMID: 21474759

Function and Biology Details

Reaction catalysed: 
5,6,7,8-tetrahydrofolate + NADP(+) = 7,8-dihydrofolate + NADPH
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-173047 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
dihydrofolate reductase Chain: A
Molecule details ›
Chain: A
Length: 160 amino acids
Theoretical weight: 18.08 KDa
Source organism: Escherichia coli UTI89
Expression system: Escherichia coli
UniProt:
  • Canonical: Q1RGF0 (Residues: 46-68, 70-204; Coverage: 78%)
Gene names: UTI89_C0054, folA
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 NA 3 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P3221
Unit cell:
a: 79.662Å b: 79.662Å c: 71.464Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.21 0.208 0.245
Expression system: Escherichia coli

Quick links

Citations

56 review citations

Flexibility, diversity, and cooperativity: pillars of enzyme catalysis.
Hammes et al. (2011)
55 more

6 mentions without citation

Catalysis by dihydrofolate reductase and other enzymes arises from electrostatic preorganization, not conformational motions.
Adamczyk et al. (2011)
5 more