› 6j1t

X-ray diffraction
1.78Å resolution

Crystal structure of Candida Antarctica Lipase B mutant SR with product analogue

Released:
DOI: 10.2210/pdb6j1t/pdb
PDB entry 6j1t coloured by chain, front view.
PDB entry 6j1t coloured by chain, side view.
PDB entry 6j1t 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: 33.39 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 B7U 1 x B7U
Ligand SO4 5 x SO4
Ligand PGE 2 x PGE
Ligand EDO 7 x EDO
Ligand CL 6 x CL
Ligand PEG 3 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P21
Unit cell:
a: 46.642Å b: 80.381Å c: 73.299Å
α: 90° β: 98.23° γ: 90°
R-values:
R R work R free
0.175 0.173 0.202
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

2 mentions without citation

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