› 3erp

X-ray diffraction
1.55Å resolution

Structure of IDP01002, a putative oxidoreductase from and essential gene of Salmonella typhimurium

Released:
DOI: 10.2210/pdb3erp/pdb
PDB entry 3erp coloured by chain, front view.
PDB entry 3erp coloured by chain, side view.
PDB entry 3erp coloured by chain, top view.
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Primary publication:
Novel Aldo-Keto Reductases for the Biocatalytic Conversion of 3-Hydroxybutanal to 1,3-Butanediol: Structural and Biochemical Studies.
Kim T, Flick R, Brunzelle J, Singer A, Evdokimova E, Brown G, Joo JC, Minasov GA, Anderson WF, Mahadevan R, Savchenko A, Yakunin AF
Appl Environ Microbiol 83 (2017)
PMID: 28130301

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
homo octamer
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-571224 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NADP-dependent oxidoreductase domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 353 amino acids
Theoretical weight: 39.86 KDa
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8ZNA1 (Residues: 1-332; Coverage: 100%)
Gene name: STM2406
Sequence domains: Aldo/keto reductase family
Structure domains: NADP-dependent oxidoreductase domain

Ligands and Environments

5 bound ligands:
Ligand ZN 2 x ZN
Ligand NA 2 x NA
Ligand CL 5 x CL
Ligand CAC 2 x CAC
Ligand EDO 13 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: I4
Unit cell:
a: 127.096Å b: 127.096Å c: 120.492Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.155 0.153 0.178
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Production of C2-C4 diols from renewable bioresources: new metabolic pathways and metabolic engineering strategies.
Zhang et al. (2017)
1 more

3 mentions without citation

Structural genomics and drug discovery for infectious diseases.
Anderson WF. (2009)
2 more