› 7my9

X-ray diffraction
1.63Å resolution

Structure of proline utilization A with 1,3-dithiolane-2-carboxylate bound in the proline dehydrogenase active site

Released:
DOI: 10.2210/pdb7my9/pdb
PDB entry 7my9 coloured by chain, front view.
PDB entry 7my9 coloured by chain, side view.
PDB entry 7my9 coloured by chain, top view.
Source organism: Sinorhizobium meliloti SM11
Primary publication:
Photoinduced Covalent Irreversible Inactivation of Proline Dehydrogenase by S-Heterocycles.
Campbell AC, Prater AR, Bogner AN, Quinn TP, Gates KS, Becker DF, Tanner JJ
ACS Chem Biol 16 2268-2279 (2021)
PMID: 34542291

Function and Biology Details

Reactions catalysed: 
L-glutamate 5-semialdehyde + NAD(+) + H(2)O = L-glutamate + NADH
L-proline + a quinone = (S)-1-pyrroline-5-carboxylate + a quinol
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-123681 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bifunctional protein PutA Chains: A, B
Molecule details ›
Chains: A, B
Length: 1235 amino acids
Theoretical weight: 131.96 KDa
Source organism: Sinorhizobium meliloti SM11
Expression system: Escherichia coli
UniProt:
  • Canonical: F7X6I3 (Residues: 1-1233; Coverage: 100%)
Gene names: SM11_chr0102, putA
Sequence domains:

Ligands and Environments


Cofactor: Ligand FAD 2 x FAD

Cofactor: Ligand NAD 2 x NAD
6 bound ligands:
Ligand UJD 2 x UJD
Ligand SO4 4 x SO4
Ligand MG 2 x MG
Ligand PGE 3 x PGE
Ligand PEG 1 x PEG
Ligand PG4 1 x PG4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P21
Unit cell:
a: 101.932Å b: 103.094Å c: 126.906Å
α: 90° β: 106.5° γ: 90°
R-values:
R R work R free
0.164 0.162 0.192
Expression system: Escherichia coli

Quick links

Citations

2 citation in other articles

Structure-affinity relationships of reversible proline analog inhibitors targeting proline dehydrogenase.
Bogner et al. (2022)
1 more

1 mention without citation

Photoinduced Covalent Irreversible Inactivation of Proline Dehydrogenase by S-Heterocycles.
Campbell et al. (2021)