› 6j1q

X-ray diffraction
1.6Å resolution

Crystal structure of Candida Antarctica Lipase B mutant - RS

Released:
DOI: 10.2210/pdb6j1q/pdb
PDB entry 6j1q coloured by chain, front view.
PDB entry 6j1q coloured by chain, side view.
PDB entry 6j1q coloured by chain, top view.
Source organism: Moesziomyces antarcticus
Primary publication:
Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters.
Xu J, Cen Y, Singh W, Fan J, Wu L, Lin X, Zhou J, Huang M, Reetz MT, Wu Q
J Am Chem Soc 141 7934-7945 (2019)
PMID: 31023008

Function and Biology Details

Reaction catalysed: 
Triacylglycerol + H(2)O = diacylglycerol + a carboxylate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-154386 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Lipase B Chains: A, B
Molecule details ›
Chains: A, B
Length: 321 amino acids
Theoretical weight: 33.24 KDa
Source organism: Moesziomyces antarcticus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P41365 (Residues: 26-342; Coverage: 98%)

Ligands and Environments

6 bound ligands:
Ligand SO4 6 x SO4
Ligand EDO 10 x EDO
Ligand EPE 2 x EPE
Ligand PEG 4 x PEG
Ligand CL 1 x CL
Ligand 1PE 1 x 1PE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: P21
Unit cell:
a: 46.53Å b: 80.449Å c: 72.588Å
α: 90° β: 97.56° γ: 90°
R-values:
R R work R free
0.15 0.149 0.173
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

A Unique P450 Peroxygenase System Facilitated by a Dual-Functional Small Molecule: Concept, Application, and Perspective.
Di et al. (2022)
3 more

1 mention without citation

Perspectives on the Role of Enzymatic Biocatalysis for the Degradation of Plastic PET.
Magalhães et al. (2021)