› 6tf8

X-ray diffraction
1.9Å resolution

Structure of the engineered artificial aldolase I133F RA95.5-8F with a bound substrate, pentan-2-one

Released:
DOI: 10.2210/pdb6tf8/pdb
PDB entry 6tf8 coloured by chain, front view.
PDB entry 6tf8 coloured by chain, side view.
PDB entry 6tf8 coloured by chain, top view.
Source organism: Saccharolobus solfataricus P2
Primary publication:
Engineered Artificial Carboligases Facilitate Regioselective Preparation of Enantioenriched Aldol Adducts.
Macdonald DS, Garrabou X, Klaus C, Verez R, Mori T, Hilvert D
J Am Chem Soc 142 10250-10254 (2020)
PMID: 32427470

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-167506 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
RA95.5-8F_133F Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 251 amino acids
Theoretical weight: 29.06 KDa
Source organism: Saccharolobus solfataricus P2
Expression system: Escherichia coli

Ligands and Environments

No bound ligands
1 modified residue:
Ligand N65 4 x N65

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 75.885Å b: 102.316Å c: 121.076Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.201 0.2 0.247
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Looking Back: A Short History of the Discovery of Enzymes and How They Became Powerful Chemical Tools.
Heckmann et al. (2020)
2 more