› 4i3t

X-ray diffraction
2.1Å resolution

Structure of phosphonoacetaldehyde dehydrogenase in the apo state

Released:
DOI: 10.2210/pdb4i3t/pdb
PDB entry 4i3t coloured by chain, front view.
PDB entry 4i3t coloured by chain, side view.
PDB entry 4i3t coloured by chain, top view.
Source organism: Sinorhizobium meliloti 1021
Primary publication:
Structure and function of phosphonoacetaldehyde dehydrogenase: the missing link in phosphonoacetate formation.
Agarwal V, Peck SC, Chen JH, Borisova SA, Chekan JR, van der Donk WA, Nair SK
Chem Biol 21 125-35 (2014)
PMID: 24361046

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187936 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phosphonoacetaldehyde dehydrogenase Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 488 amino acids
Theoretical weight: 53.26 KDa
Source organism: Sinorhizobium meliloti 1021
Expression system: Escherichia coli
UniProt:
  • Canonical: Q92UV7 (Residues: 1-485; Coverage: 100%)
Gene names: SMb21539, phnY
Sequence domains: Aldehyde dehydrogenase family
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand PO4 8 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P21
Unit cell:
a: 95.72Å b: 172.79Å c: 142.58Å
α: 90° β: 107.57° γ: 90°
R-values:
R R work R free
0.2 0.198 0.237
Expression system: Escherichia coli

Quick links

Citations

11 citation in other articles

Comparative assessment of strategies to identify similar ligand-binding pockets in proteins.
Govindaraj et al. (2018)
10 more

1 mention without citation

Structure and function of phosphonoacetaldehyde dehydrogenase: the missing link in phosphonoacetate formation.
Agarwal et al. (2014)