› 6ufp

X-ray diffraction
1.74Å resolution

Structure of proline utilization A with the FAD covalently modified by L-thiazolidine-2-carboxylate and three cysteines (Cys46, Cys470, Cys638) modified to S,S-(2-HYDROXYETHYL)THIOCYSTEINE

Released:
DOI: 10.2210/pdb6ufp/pdb
Model geometry
Fit model/data
PDB entry 6ufp coloured by chain, front view.
PDB entry 6ufp coloured by chain, side view.
PDB entry 6ufp coloured by chain, top view.
Source organism: Sinorhizobium meliloti SM11
Primary publication:
Covalent Modification of the Flavin in Proline Dehydrogenase by Thiazolidine-2-Carboxylate.
Campbell AC, Becker DF, Gates KS, Tanner JJ
ACS Chem Biol 15 936-944 (2020)
PMID: 32159324

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

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-123682 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Bifunctional protein PutA Chain: A
Molecule details ›
Chain: A
Length: 1235 amino acids
Theoretical weight: 132.11 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:
Bifunctional protein PutA Chain: B
Molecule details ›
Chain: B
Length: 1235 amino acids
Theoretical weight: 132.19 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 NAD 2 x NAD

Cofactor: Ligand FDA 2 x FDA
4 bound ligands:
Ligand T2C 2 x T2C
Ligand PEG 2 x PEG
Ligand SO4 6 x SO4
Ligand FMT 2 x FMT
1 modified residue:
Ligand CME 5 x CME

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P21
Unit cell:
a: 101.424Å b: 102.108Å c: 126.69Å
α: 90° β: 106.46° γ: 90°
R-values:
R R work R free
0.169 0.168 0.2
Expression system: Escherichia coli

Quick links

Citations

8 citation in other articles

In crystallo screening for proline analog inhibitors of the proline cycle enzyme PYCR1.
Christensen et al. (2020)
7 more

1 mention without citation

Covalent Modification of the Flavin in Proline Dehydrogenase by Thiazolidine-2-Carboxylate.
Campbell et al. (2020)