› 6kjf

X-ray diffraction
2.4Å resolution

lovastatin esterase PcEST in complex with simvastatin

Released:
DOI: 10.2210/pdb6kjf/pdb
PDB entry 6kjf coloured by chain, front view.
PDB entry 6kjf coloured by chain, side view.
PDB entry 6kjf coloured by chain, top view.
Source organism: Penicillium rubens Wisconsin 54-1255
Primary publication:
Structural insights into the catalytic mechanism of lovastatin hydrolase
Liang YJ, Lu XF
J. Biol. Chem. (2019)

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-110335 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Lovastatin esterase Chains: A, B
Molecule details ›
Chains: A, B
Length: 400 amino acids
Theoretical weight: 43.47 KDa
Source organism: Penicillium rubens Wisconsin 54-1255
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: B6H6L7 (Residues: 1-399; Coverage: 100%)
Gene names: PCH_Pc15g00720, Pc15g00720, PcEST
Sequence domains: Beta-lactamase

Ligands and Environments

2 bound ligands:
Ligand 144 5 x 144
Ligand SIM 2 x SIM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BSRF BEAMLINE 3W1A
Spacegroup: P212121
Unit cell:
a: 88.725Å b: 91.957Å c: 142.474Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.18 0.178 0.221
Expression system: Escherichia coli BL21(DE3)

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