› 6jsu

X-ray diffraction
1.8Å resolution

Structure of Geobacillus kaustophilus lactonase, Y99C/D266N double mutant

Released:
DOI: 10.2210/pdb6jsu/pdb
PDB entry 6jsu coloured by chain, front view.
PDB entry 6jsu coloured by chain, side view.
PDB entry 6jsu coloured by chain, top view.
Source organism: Geobacillus kaustophilus HTA426
Primary publication:
Directed Computational Evolution of Quorum-Quenching Lactonases from the Amidohydrolase Superfamily.
Go MK, Zhao LN, Xue B, Supekar S, Robinson RC, Fan H, Yew WS
Structure 28 635-642.e3 (2020)
PMID: 32320671

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-177400 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phosphotriesterase Chains: A, B
Molecule details ›
Chains: A, B
Length: 330 amino acids
Theoretical weight: 36.82 KDa
Source organism: Geobacillus kaustophilus HTA426
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q5KZU5 (Residues: 1-326; Coverage: 100%)
Gene name: GK1506
Sequence domains: Phosphotriesterase family

Ligands and Environments

3 bound ligands:
Ligand FE 2 x FE
Ligand ZN 2 x ZN
Ligand OH 2 x OH
1 modified residue:
Ligand KCX 2 x KCX

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P21
Unit cell:
a: 47.6Å b: 157.487Å c: 50.618Å
α: 90° β: 117.06° γ: 90°
R-values:
R R work R free
0.161 0.16 0.19
Expression system: Escherichia coli BL21(DE3)

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