› 4x19

X-ray diffraction
1.94Å resolution

Crystal structure of native 4-OT from Pseudomonas putida mt-2 at 1.94 Angstrom

Released:
DOI: 10.2210/pdb4x19/pdb
PDB entry 4x19 coloured by chain, front view.
PDB entry 4x19 coloured by chain, side view.
PDB entry 4x19 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

Assembly composition:
homo hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-169566 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2-hydroxymuconate tautomerase Chains: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X, Y, Z, a, b, c, d
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X, Y, Z, a, b, c, d
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 1 x NCO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P21
Unit cell:
a: 58.48Å b: 88.816Å c: 169.877Å
α: 90° β: 94.51° γ: 90°
R-values:
R R work R free
0.25 0.248 0.289
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

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

7 mentions without citation

Enabling protein-hosted organocatalytic transformations.
Nödling et al. (2020)
6 more