› 4kjl

X-ray diffraction
1.38Å resolution

Room Temperature N23PPS148A DHFR

Released:
DOI: 10.2210/pdb4kjl/pdb
PDB entry 4kjl coloured by chain, front view.
PDB entry 4kjl coloured by chain, side view.
PDB entry 4kjl coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Automated identification of functional dynamic contact networks from X-ray crystallography.
van den Bedem H, Bhabha G, Yang K, Wright PE, Fraser JS
OpenAccess logo Nat Methods 10 896-902 (2013)
PMID: 23913260

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-142189 (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 K-12
Expression system: Escherichia coli
UniProt:
  • Canonical: P0ABQ4 (Residues: 1-23, 25-159; Coverage: 99%)
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
1 bound ligand:
Ligand FOL 1 x FOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P212121
Unit cell:
a: 34.64Å b: 45.76Å c: 98.71Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.151 0.15 0.18
Expression system: Escherichia coli

Quick links

Citations

14 review citations

Principles and Overview of Sampling Methods for Modeling Macromolecular Structure and Dynamics.
Maximova et al. (2016)
13 more

2 mentions without citation

Automated identification of functional dynamic contact networks from X-ray crystallography.
van den Bedem et al. (2013)
1 more