› 2pez

X-ray diffraction
1.4Å resolution

Crystal structrue of deletion mutant of APS-kinase domain of human PAPS-synthetase 1 in complex with cyclic PAPS and dADP

Released:
DOI: 10.2210/pdb2pez/pdb
PDB 2pez coloured by chain and viewed from the front.
PDB 2pez coloured by chain and viewed from the side.
PDB 2pez coloured by chain and viewed from the top.
Source organism: Homo sapiens
Primary publication:
Structural mechanism for substrate inhibition of the adenosine 5'-phosphosulfate kinase domain of human 3'-phosphoadenosine 5'-phosphosulfate synthetase 1 and its ramifications for enzyme regulation.
Sekulic N, Konrad M, Lavie A
J. Biol. Chem. 282 22112-21 (2007)
PMID: 17540769

Function and Biology Details

Reactions catalysed: 
ATP + adenylyl sulfate = ADP + 3'-phosphoadenylyl sulfate
ATP + sulfate = diphosphate + adenylyl sulfate
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 179 amino acids
Theoretical weight: 19.87 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O43252 (Residues: 51-226; Coverage: 28%)
Gene names: ATPSK1, PAPSS, PAPSS1
Sequence domains: Adenylylsulphate kinase
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

2 bound ligands:
Ligand GGZ 1 x GGZ
Ligand DAT 2 x DAT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: P212121
Unit cell:
a: 44.09Å b: 59.4Å c: 139.02Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.197 0.194 0.22
Expression system: Escherichia coli

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Citations

1 review citation

Adenosine-5'-phosphosulfate--a multifaceted modulator of bifunctional 3'-phospho-adenosine-5'-phosphosulfate synthases and related enzymes.
Mueller et al. (2013)
8 other articles

3 mentions without citation

Predicting new indications for approved drugs using a proteochemometric method.
Dakshanamurthy et al. (2012)
2 more