› 6j1r

X-ray diffraction
1.6Å resolution

Crystal structure of Candida Antarctica Lipase B mutant - RR

Released:
DOI: 10.2210/pdb6j1r/pdb
Model geometry
Fit model/data
PDB entry 6j1r coloured by chain, front view.
PDB entry 6j1r coloured by chain, side view.
PDB entry 6j1r 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 domains:

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: 33.31 KDa
Source organism: Moesziomyces antarcticus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P41365 (Residues: 26-342; Coverage: 98%)

Ligands and Environments

3 bound ligands:
Ligand SO4 4 x SO4
Ligand EDO 5 x EDO
Ligand PEG 1 x PEG
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: P21
Unit cell:
a: 47.023Å b: 80.67Å c: 73.646Å
α: 90° β: 98.48° γ: 90°
R-values:
R R work R free
0.178 0.176 0.215
Expression system: Escherichia coli BL21(DE3)

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Citations

4 review citations

Making Enzymes Suitable for Organic Chemistry by Rational Protein Design.
Reetz M. (2022)
3 more

1 mention without citation

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