› 4u2c

X-ray diffraction
1.95Å resolution

Crystal structure of dienelactone hydrolase A-6 variant (S7T, A24V, Q35H, F38L, Q110L, C123S, Y145C, E199G and S208G) at 1.95 A resolution

Released:
DOI: 10.2210/pdb4u2c/pdb
PDB entry 4u2c coloured by chain, front view.
PDB entry 4u2c coloured by chain, side view.
PDB entry 4u2c coloured by chain, top view.
Source organism: Pseudomonas knackmussii
Primary publication:
Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Porter JL, Boon PL, Murray TP, Huber T, Collyer CA, Ollis DL
ACS Chem Biol 10 611-21 (2015)
PMID: 25419863

Function and Biology Details

Reaction catalysed: 
4-carboxymethylenebut-2-en-4-olide + H(2)O = 4-oxohex-2-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-140972 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carboxymethylenebutenolidase Chain: A
Molecule details ›
Chain: A
Length: 236 amino acids
Theoretical weight: 25.28 KDa
Source organism: Pseudomonas knackmussii
Expression system: Escherichia coli DH5[alpha]
UniProt:
  • Canonical: P0A115 (Residues: 1-236; Coverage: 100%)
Gene name: clcD
Sequence domains: Dienelactone hydrolase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

1 bound ligand:
Ligand SO4 1 x SO4
1 modified residue:
Ligand CSD 1 x CSD

Experiments and Validation Details

Entry percentile scores
X-ray source: OTHER
Spacegroup: P212121
Unit cell:
a: 48.594Å b: 70.445Å c: 74.089Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.181 0.179 0.215
Expression system: Escherichia coli DH5[alpha]

Quick links

Citations

2 review citations

Directed Evolution of Enzymes for Industrial Biocatalysis.
Porter et al. (2016)
1 more

1 mention without citation

Styrylpyrone Derivative (SPD) Extracted from Goniothalamus umbrosus Binds to Dengue Virus Serotype-2 Envelope Protein and Inhibits Early Stage of Virus Replication.
Abd Wahab et al. (2022)