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Crystal structure of arabidopsis thaliana plant and fungi atypical dual specificity phosphatase 1(ATPFA-DSP1 ) in complex with phosphate in conformation a (PI(A))

Analyse Crystal structure of arabidopsis thaliana plant and fungi atypical dual… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7MOK
Type
protein
Length
332 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tyrosine-protein phosphatase DSP1
EC
3.1.3.48
UniProt
Q9ZVN4
Ligands
PO4
Pockets
2 · best druggability 0.41

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BTyrosine-protein phosphatase DSP1 (EC 3.1.3.48)protein16643% helix, 13% strandQ9ZVN4

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 2 copies · chains A, B
  • BME · Beta-mercaptoethanol · additive · 5 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1590.410.8118PO4
2530.370.8017PO4

Interfaces

1 interface between chains.

  • A–B · 1392 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

  • 7MOK · 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 A against A, TM-score 0.96

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