› 3qvv

X-ray diffraction
2.35Å resolution

Crystal structure of Ancestral variant b9 of SULT 1A1 in complex with PAP and 3-CyC

Released:
DOI: 10.2210/pdb3qvv/pdb
PDB entry 3qvv coloured by chain, front view.
PDB entry 3qvv coloured by chain, side view.
PDB entry 3qvv coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Directed evolution of sulfotransferases and paraoxonases by ancestral libraries.
Alcolombri U, Elias M, Tawfik DS
J Mol Biol 411 837-53 (2011)
PMID: 21723874

Function and Biology Details

Reaction catalysed: 
3'-phosphoadenylyl sulfate + a phenol = adenosine 3',5'-bisphosphate + an aryl sulfate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156147 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Sulfotransferase 1A1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 295 amino acids
Theoretical weight: 34.22 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P50225 (Residues: 1-295; Coverage: 100%)
Gene names: OK/SW-cl.88, STP, STP1, SULT1A1
Sequence domains: Sulfotransferase domain
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

2 bound ligands:
Ligand A3P 2 x A3P
Ligand 3QV 2 x 3QV
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P212121
Unit cell:
a: 71.79Å b: 71.91Å c: 122.59Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.232 0.23 0.276
Expression system: Escherichia coli

Quick links

Citations

9 review citations

Synthetic biology for the directed evolution of protein biocatalysts: navigating sequence space intelligently.
Currin et al. (2015)
8 more

2 mentions without citation

From Steroid and Drug Metabolism to Glycobiology, Using Sulfotransferase Structures to Understand and Tailor Function.
Pedersen et al. (2022)
1 more