› 5gv5

X-ray diffraction
2.89Å resolution

Crystal structure of Candida antarctica Lipase B with active Ser105 modified with a phosphonate inhibitor

Released:
DOI: 10.2210/pdb5gv5/pdb
PDB entry 5gv5 coloured by chain, front view.
PDB entry 5gv5 coloured by chain, side view.
PDB entry 5gv5 coloured by chain, top view.
Source organism: Moesziomyces antarcticus
Primary publication:
Structural and Experimental Evidence for the Enantiomeric Recognition toward a Bulky sec-Alcohol by Candida antarctica Lipase B
Park K, Kim S, Park J, Joe S, Min B, Oh J, Song J, Park SY, Park S, Lee H
ACS Catalysis 6 7458-7465 (2016)

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-126053 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (3 distinct):
Lipase B Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 317 amino acids
Theoretical weight: 33.04 KDa
Source organism: Moesziomyces antarcticus
Expression system: Aspergillus niger
UniProt:
  • Canonical: M9MDK9 (Residues: 26-342; Coverage: 98%)
Gene name: PANT_12c00005
Structure domains: alpha/beta hydrolase

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
1 bound ligand:
Ligand MSW 8 x MSW
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PAL/PLS BEAMLINE 5C (4A)
Spacegroup: P21
Unit cell:
a: 92.462Å b: 123.222Å c: 150.316Å
α: 90° β: 96.2° γ: 90°
R-values:
R R work R free
0.174 0.171 0.229
Expression system: Aspergillus niger

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