› 6wup

X-ray diffraction
1.49Å resolution

Crystal structure of an ancestral cyclohexadienyl dehydratase, AncCDT-5

Released:
DOI: 10.2210/pdb6wup/pdb
PDB entry 6wup coloured by chain, front view.
PDB entry 6wup coloured by chain, side view.
PDB entry 6wup coloured by chain, top view.
Source organism: synthetic construct
Primary publication:
Altered conformational sampling along an evolutionary trajectory changes the catalytic activity of an enzyme.
Kaczmarski JA, Mahawaththa MC, Feintuch A, Clifton BE, Adams LA, Goldfarb D, Otting G, Jackson CJ
OpenAccess logo Nat Commun 11 5945 (2020)
PMID: 33230119

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-167733 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ancestral cyclohexadienyl dehydratase, AncCDT-5 Chain: A
Molecule details ›
Chain: A
Length: 238 amino acids
Theoretical weight: 26.97 KDa
Source organism: synthetic construct
Expression system: Escherichia coli BL21(DE3)

Ligands and Environments

2 bound ligands:
Ligand CL 1 x CL
Ligand EPE 1 x EPE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P6522
Unit cell:
a: 70.955Å b: 70.955Å c: 175.39Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.199 0.198 0.222
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

A mechanistic view of enzyme evolution.
Yang et al. (2020)
1 more

2 mentions without citation

Altered conformational sampling along an evolutionary trajectory changes the catalytic activity of an enzyme.
Kaczmarski et al. (2020)
1 more