› 4p3q

X-ray diffraction
1.35Å resolution

Room-temperature WT DHFR, time-averaged ensemble

Released:
DOI: 10.2210/pdb4p3q/pdb
PDB entry 4p3q coloured by chain, ensemble of 167 models, front view.
PDB entry 4p3q coloured by chain, ensemble of 167 models, side view.
PDB entry 4p3q coloured by chain, ensemble of 167 models, top view.
Source organism: Escherichia coli str. K-12 substr. DH10B
Primary publication:
Crystal cryocooling distorts conformational heterogeneity in a model Michaelis complex of DHFR.
Keedy DA, van den Bedem H, Sivak DA, Petsko GA, Ringe D, Wilson MA, Fraser JS
Structure 22 899-910 (2014)
PMID: 24882744

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-164976 (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 str. K-12 substr. DH10B
Expression system: Escherichia coli
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments

3 bound ligands:
Ligand FOL 1 x FOL
Ligand CA 2 x CA
Ligand NAP 1 x NAP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P212121
Unit cell:
a: 34.32Å b: 45.51Å c: 98.91Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.12 0.118 0.153
Expression system: Escherichia coli

Quick links

Citations

7 review citations

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

3 mentions without citation

Crystal cryocooling distorts conformational heterogeneity in a model Michaelis complex of DHFR.
Keedy et al. (2014)
2 more