› 4uph

X-ray diffraction
2.5Å resolution

Crystal Structure of Phosphonate Monoester Hydrolase of Agrobacterium radiobacter

Released:
DOI: 10.2210/pdb4uph/pdb
PDB entry 4uph coloured by chain, front view.
PDB entry 4uph coloured by chain, side view.
PDB entry 4uph coloured by chain, top view.
Source organism: Agrobacterium radiobacter K84
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-110829 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Sulfatase N-terminal domain-containing protein Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 547 amino acids
Theoretical weight: 60.21 KDa
Source organism: Agrobacterium radiobacter K84
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: B9JE48 (Residues: 1-518; Coverage: 100%)
Gene name: Arad_4766
Sequence domains: Sulfatase
Structure domains: Alkaline Phosphatase, subunit A

Ligands and Environments

2 bound ligands:
Ligand MG 4 x MG
Ligand CL 4 x CL
1 modified residue:
Ligand DDZ 4 x DDZ

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: P41212
Unit cell:
a: 232.69Å b: 232.69Å c: 112.05Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.197 0.196 0.225
Expression system: Escherichia coli BL21(DE3)

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Citations

3 review citations

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