› 5mlx

X-ray diffraction
1.6Å resolution

Open loop conformation of PhaZ7 Y105E mutant

Released:
DOI: 10.2210/pdb5mlx/pdb
PDB entry 5mlx coloured by chain, front view.
PDB entry 5mlx coloured by chain, side view.
PDB entry 5mlx coloured by chain, top view.
Source organism: Paucimonas lemoignei
Primary publication:
Crystal structure analysis, covalent docking, and molecular dynamics calculations reveal a conformational switch in PhaZ7 PHB depolymerase.
Kellici TF, Mavromoustakos T, Jendrossek D, Papageorgiou AC
Proteins 85 1351-1361 (2017)
PMID: 28370478

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-188027 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Lipase (Class 2) Chains: A, B
Molecule details ›
Chains: A, B
Length: 350 amino acids
Theoretical weight: 37.27 KDa
Source organism: Paucimonas lemoignei
Expression system: Bacillus subtilis
UniProt:
  • Canonical: Q939Q9 (Residues: 39-380; Coverage: 90%)
Gene names: EDC30_107150, phaZ7
Sequence domains: Lipase (class 2)
Structure domains: alpha/beta hydrolase

Ligands and Environments

2 bound ligands:
Ligand CL 2 x CL
Ligand NA 5 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X13
Spacegroup: P21
Unit cell:
a: 41.3Å b: 199.5Å c: 44.4Å
α: 90° β: 114.2° γ: 90°
R-values:
R R work R free
0.127 0.126 0.152
Expression system: Bacillus subtilis

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Citations

1 review citation

Docking of Covalent Ligands: Challenges and Approaches.
Sotriffer C. (2018)
3 other articles