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› 4upi

X-ray diffraction
1.25Å resolution

Dimeric sulfatase SpAS1 from Silicibacter pomeroyi

Released:
DOI: 10.2210/pdb4upi/pdb
Model geometry
Fit model/data
PDB entry 4upi coloured by chain, front view.
PDB entry 4upi coloured by chain, side view.
PDB entry 4upi coloured by chain, top view.
Source organism: Ruegeria pomeroyi DSS-3
Primary publication:
Balancing Specificity and Promiscuity in Enzyme Evolution: Multidimensional Activity Transitions in the Alkaline Phosphatase Superfamily.
van Loo B, Bayer CD, Fischer G, Jonas S, Valkov E, Mohamed MF, Vorobieva A, Dutruel C, Hyvönen M, Hollfelder F
J Am Chem Soc 141 370-387 (2019)
PMID: 30497259

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-177525 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Sulfatase N-terminal domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 576 amino acids
Theoretical weight: 65.38 KDa
Source organism: Ruegeria pomeroyi DSS-3
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q5LLA5 (Residues: 1-552; Coverage: 100%)
Gene name: SPOA0121
Sequence domains:
Structure domains: Alkaline Phosphatase, subunit A

Ligands and Environments

1 bound ligand:
Ligand ZN 1 x ZN
1 modified residue:
Ligand DDZ 1 x DDZ

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: C2
Unit cell:
a: 93.027Å b: 86.029Å c: 82.874Å
α: 90° β: 115.19° γ: 90°
R-values:
R R work R free
0.142 0.141 0.163
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Setting the stage for evolution of a new enzyme.
Copley SD. (2021)
2 more

2 mentions without citation

Specificity Effects of Amino Acid Substitutions in Promiscuous Hydrolases: Context-Dependence of Catalytic Residue Contributions to Local Fitness Landscapes in Nearby Sequence Space.
Bayer et al. (2017)
1 more