› 8brq

X-ray diffraction
1.63Å resolution

Crystal structure of a surface entropy reduction variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231

Released:
DOI: 10.2210/pdb8brq/pdb
PDB entry 8brq coloured by chain, front view.
PDB entry 8brq coloured by chain, side view.
PDB entry 8brq coloured by chain, top view.
Source organism: Bacillus sp. FJAT-27231
Primary publication:
Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Wichmann J, Mayer J, Hintmann M, Lukat P, Blankenfeldt W, Biedendieck R
Cryst Growth Des (2023)

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-102339 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Penicillin G acylase Chain: A
Molecule details ›
Chain: A
Length: 212 amino acids
Theoretical weight: 24.68 KDa
Source organism: Bacillus sp. FJAT-27231
Expression system: Priestia megaterium
UniProt:
  • Canonical: A0A0K9H482 (Residues: 25-236; Coverage: 27%)
Gene name: AC623_04440
Penicillin G acylase Chain: B
Molecule details ›
Chain: B
Length: 538 amino acids
Theoretical weight: 61.4 KDa
Source organism: Bacillus sp. FJAT-27231
Expression system: Priestia megaterium
UniProt:
  • Canonical: A0A0K9H482 (Residues: 268-805; Coverage: 69%)
Gene name: AC623_04440
Sequence domains: Penicillin amidase

Ligands and Environments

3 bound ligands:
Ligand EPE 1 x EPE
Ligand BU3 3 x BU3
Ligand CA 2 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, DESY BEAMLINE P11
Spacegroup: P212121
Unit cell:
a: 61.252Å b: 102.105Å c: 140.079Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.144 0.143 0.168
Expression system: Priestia megaterium

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