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MolNFT v1 · #182357 · protein

Crystal structure of arabidopsis thaliana plant and fungi atypical dual specificity phosphatase 1(ATPFA-DSP1 ) CYS150SER in complex with phosphate in conformation a (PI(A))

7MOD · Tyrosine-protein phosphatase DSP1: “Crystal structure of arabidopsis thaliana plant and fungi atypical dual specificity phosphatase 1(ATPFA-DSP1…”. X-ray diffraction, 1 ligand (PO4), 3 pockets (best druggability 0.55). MolNFT v1…

PDB
7MOD
Type
protein
Length
325 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
3 · best druggability 0.55

Structure

x-ray diffraction · 2 distinct chains · 44% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATyrosine-protein phosphatase DSP1 (EC 3.1.3.48)protein16444% helix, 13% strandQ9ZVN4
BTyrosine-protein phosphatase DSP1 (EC 3.1.3.48)protein16144% helix, 14% strandQ9ZVN4

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 2 copies · chains A, 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11360.550.8221empty
2530.540.8920PO4
3570.300.7515empty

Interfaces

1 interface between chains.

  • A–B · 1175 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 7MOD · 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 0.98

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