› 4dsy

X-ray diffraction
2.3Å resolution

Crystal structure of red kidney bean purple acid phosphatase in complex with Maybridge fragment CC24201

Released:
DOI: 10.2210/pdb4dsy/pdb
PDB entry 4dsy coloured by chain, front view.
PDB entry 4dsy coloured by chain, side view.
PDB entry 4dsy coloured by chain, top view.
Source organism: Phaseolus vulgaris
Primary publication:
Identification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics.
Feder D, Hussein WM, Clayton DJ, Kan MW, Schenk G, McGeary RP, Guddat LW
Chem Biol Drug Des 80 665-74 (2012)
PMID: 22943065

Function and Biology Details

Reaction catalysed: 
A phosphate monoester + H(2)O = an alcohol + phosphate
Biochemical function:
Biological process:
  • not assigned
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-160394 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (3 distinct):
Fe(3+)-Zn(2+) purple acid phosphatase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 426 amino acids
Theoretical weight: 49.56 KDa
Source organism: Phaseolus vulgaris
Expression system: Not provided
UniProt:
  • Canonical: P80366 (Residues: 34-459; Coverage: 98%)
Sequence domains:
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, FUC
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, FUC
Carbohydrate polymer
8 bound ligands:
Ligand ZN 4 x ZN
Ligand FE 4 x FE
Ligand 0LO 1 x 0LO
Ligand GOL 7 x GOL
Ligand NAG 7 x NAG
Ligand SO4 11 x SO4
Ligand EDO 13 x EDO
Ligand ACT 2 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P3121
Unit cell:
a: 127.705Å b: 127.705Å c: 299.761Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.164 0.161 0.208
Expression system: Not provided

Quick links

Citations

13 citation in other articles

Crystal structure of the Bacillus subtilis phosphodiesterase PhoD reveals an iron and calcium-containing active site.
Rodriguez et al. (2014)
12 more