› 4pth

X-ray diffraction
0.85Å resolution

Ensemble model for Escherichia coli dihydrofolate reductase at 100K

Released:
DOI: 10.2210/pdb4pth/pdb
PDB entry 4pth coloured by chain, ensemble of 250 models, front view.
PDB entry 4pth coloured by chain, ensemble of 250 models, side view.
PDB entry 4pth coloured by chain, ensemble of 250 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-165057 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydrofolate reductase Chain: A
Molecule details ›
Chain: A
Length: 159 amino acids
Theoretical weight: 18.05 KDa
Source organism: Escherichia coli str. K-12 substr. DH10B
Expression system: Escherichia coli BL21(DE3)
Structure domains: Dihydrofolate Reductase, subunit A

Ligands and Environments

3 bound ligands:
Ligand FOL 1 x FOL
Ligand NAP 1 x NAP
Ligand MN 2 x MN
1 modified residue:
Ligand CSD 1 x CSD

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P212121
Unit cell:
a: 33.96Å b: 44.823Å c: 98.254Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.127 0.126 0.144
Expression system: Escherichia coli BL21(DE3)

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

4 mentions without citation

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