› 6bgn

X-ray diffraction
1.51Å resolution

Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate

Released:
DOI: 10.2210/pdb6bgn/pdb
PDB entry 6bgn coloured by chain, front view.
PDB entry 6bgn coloured by chain, side view.
PDB entry 6bgn coloured by chain, top view.
Source organism: Pseudomonas putida
Primary publication:
Inactivation of 4-Oxalocrotonate Tautomerase by 5-Halo-2-hydroxy-2,4-pentadienoates.
Stack TMM, Li W, Johnson WH, Zhang YJ, Whitman CP
Biochemistry 57 1012-1021 (2018)
PMID: 29303557

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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-169561 (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
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O
Length: 60 amino acids
Theoretical weight: 6.51 KDa
Source organism: Pseudomonas putida
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: Q01468 (Residues: 2-61; Coverage: 95%)
Gene name: xylH
Sequence domains: Tautomerase enzyme
Structure domains: Macrophage Migration Inhibitory Factor

Ligands and Environments

3 bound ligands:
Ligand 6Y5 15 x 6Y5
Ligand GOL 18 x GOL
Ligand NO3 3 x NO3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: C2
Unit cell:
a: 87.413Å b: 88.011Å c: 112.674Å
α: 90° β: 98.26° γ: 90°
R-values:
R R work R free
0.118 0.116 0.169
Expression system: Escherichia coli K-12

Quick links

Citations

1 citations in other articles

Combining Evolutionary Conservation and Quantum Topological Analyses To Determine Quantum Mechanics Subsystems for Biomolecular Quantum Mechanics/Molecular Mechanics Simulations.
Hix et al. (2021)

1 mention without citation

Inactivation of 4-Oxalocrotonate Tautomerase by 5-Halo-2-hydroxy-2,4-pentadienoates.
Stack et al. (2018)