› 5cns

X-ray diffraction
2.98Å resolution

Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex bound to CDP and dATP at 2.97 Angstroms resolution

Released:
DOI: 10.2210/pdb5cns/pdb
PDB entry 5cns coloured by chain, front view.
PDB entry 5cns coloured by chain, side view.
PDB entry 5cns coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Molecular basis for allosteric specificity regulation in class Ia ribonucleotide reductase from Escherichia coli.
Zimanyi CM, Chen PY, Kang G, Funk MA, Drennan CL
OpenAccess logo Elife 5 e07141 (2016)
PMID: 26754917

Function and Biology Details

Reaction catalysed: 
2'-deoxyribonucleoside diphosphate + thioredoxin disulfide + H(2)O = ribonucleoside diphosphate + thioredoxin
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero octamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132531 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Ribonucleoside-diphosphate reductase 1 subunit alpha Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 761 amino acids
Theoretical weight: 85.88 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli
UniProt:
  • Canonical: P00452 (Residues: 1-761; Coverage: 100%)
Gene names: JW2228, b2234, dnaF, nrdA
Sequence domains:
Structure domains: Anaerobic Ribonucleotide-triphosphate Reductase Large Chain
Ribonucleoside-diphosphate reductase 1 subunit beta Chains: E, F, G, H
Molecule details ›
Chains: E, F, G, H
Length: 375 amino acids
Theoretical weight: 43.43 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli
UniProt:
  • Canonical: P69924 (Residues: 2-376; Coverage: 100%)
Gene names: JW2229, b2235, ftsB, nrdB
Sequence domains: Ribonucleotide reductase, small chain
Structure domains: Ribonucleotide Reductase, subunit A

Ligands and Environments

5 bound ligands:
Ligand CDP 4 x CDP
Ligand DAT 4 x DAT
Ligand MG 8 x MG
Ligand DTP 4 x DTP
Ligand FEO 4 x FEO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: C2
Unit cell:
a: 274.154Å b: 157.83Å c: 164.251Å
α: 90° β: 118.82° γ: 90°
R-values:
R R work R free
0.191 0.19 0.214
Expression system: Escherichia coli

Quick links

Citations

6 review citations

The Cell Killing Mechanisms of Hydroxyurea.
Singh et al. (2016)
5 more

7 mentions without citation

Molecular basis for allosteric specificity regulation in class Ia ribonucleotide reductase from Escherichia coli.
Zimanyi et al. (2016)
6 more