› 4i3x

X-ray diffraction
2.07Å resolution

Structure of phosphonoacetaldehyde dehydrogenase in complex with phosphonoacetate and cofactor NAD+

Released:
DOI: 10.2210/pdb4i3x/pdb
PDB entry 4i3x coloured by chain, front view.
PDB entry 4i3x coloured by chain, side view.
PDB entry 4i3x 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

2 bound ligands:
Ligand NAD 8 x NAD
Ligand PAE 8 x PAE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P21
Unit cell:
a: 95.162Å b: 172.765Å c: 142.596Å
α: 90° β: 107.28° γ: 90°
R-values:
R R work R free
0.164 0.162 0.217
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)