› 4x1c

X-ray diffraction
1.7Å resolution

Crystal structure of 4-OT from Pseudomonas putida mt-2 with an enamine adduct on the N-terminal proline at 1.7 Angstrom resolution

Released:
DOI: 10.2210/pdb4x1c/pdb
PDB entry 4x1c coloured by chain, front view.
PDB entry 4x1c coloured by chain, side view.
PDB entry 4x1c coloured by chain, top view.
Source organism: Pseudomonas putida
Primary publication:
Evidence for the formation of an enamine species during aldol and Michael-type addition reactions promiscuously catalyzed by 4-oxalocrotonate tautomerase.
Poddar H, Rahimi M, Geertsema EM, Thunnissen AM, Poelarends GJ
Chembiochem 16 738-41 (2015)
PMID: 25728471

Function and Biology Details

Reaction catalysed: 
(2Z,4E)-2-hydroxyhexa-2,4-dienedioate = (3E)-2-oxohex-3-enedioate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
hetero hexamer (preferred)
homo hexamer
Assembly name:
PDBe Complex ID:
PDB-CPX-169562 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
2-hydroxymuconate tautomerase Chains: A, B, D, E, F, I, J, M, N, O
Molecule details ›
Chains: A, B, D, E, F, I, J, M, N, O
Length: 62 amino acids
Theoretical weight: 6.85 KDa
Source organism: Pseudomonas putida
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q01468 (Residues: 2-63; Coverage: 98%)
Gene name: xylH
Sequence domains: Tautomerase enzyme
Structure domains: Macrophage Migration Inhibitory Factor
2-hydroxymuconate tautomerase Chains: C, G, H, K, L
Molecule details ›
Chains: C, G, H, K, L
Length: 62 amino acids
Theoretical weight: 6.82 KDa
Source organism: Pseudomonas putida
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q01468 (Residues: 2-63; Coverage: 98%)
Gene name: xylH
Sequence domains: Tautomerase enzyme
Structure domains: Macrophage Migration Inhibitory Factor

Ligands and Environments

1 bound ligand:
Ligand NCO 2 x NCO
1 modified residue:
Ligand N80 10 x N80

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: C2
Unit cell:
a: 55.288Å b: 85.129Å c: 170.907Å
α: 90° β: 96.91° γ: 90°
R-values:
R R work R free
0.197 0.196 0.227
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Emerging strategies for expanding the toolbox of enzymes in biocatalysis.
Sandoval et al. (2020)
12 other articles

1 mention without citation

Enantiocomplementary Michael Additions of Acetaldehyde to Aliphatic Nitroalkenes Catalyzed by Proline-Based Carboligases.
Kunzendorf et al. (2022)