Crystal structure of arabidopsis thaliana plant and fungi atypical dual specificity phosphatase 1(ATPFA-DSP1 ) CYS150SER in complex with 5-diphosphoinositol 1,3,4,6-tetrakisphosphate (5PP-INSP4) and phosphate in conformation B (PI(B))

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 14% strand (DSSP).

Ligands and binding sites

• U6J · (1r,2R,3S,4r,5R,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate · ligand · 2 copies · chains A, B
• PO4 · Phosphate ion · ion · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 900 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

• 7MOH · Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity… · the same entry in another collection · chain A against A, TM-score 1.00
• Q9ZVN4 · AlphaFold monomer V2.0 prediction for tyrosine-protein phosphatase DSP1 (Q9ZVN4) · a predicted model of the same protein · chain B against A, TM-score 0.99

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q9ZVN4
• Elsewhere: RCSB PDB 7MOH · PDBe 7MOH · UniProt Q9ZVN4