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Structure of pragmin pseudo-kinase reveals a dimerization mechanism to regulate protein tyrosine phosphorylation and nuclear transcription

Analyse Structure of pragmin pseudo-kinase reveals a dimerization mechanism to regulate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6EWX
Type
protein
Length
717 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
PEAK1-related kinase-activating pseudokinase 1
UniProt
D3ZMK9
Ligands
SO4
Pockets
12 · best druggability 0.52

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APEAK1-related kinase-activating pseudokinase 1protein35948% helix, 14% strandD3ZMK9
BPEAK1-related kinase-activating pseudokinase 1protein35847% helix, 11% strandD3ZMK9

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12520.520.7534empty
2740.470.8319empty
31090.440.7720empty
4730.400.7915empty
51230.390.7531empty

Interfaces

1 interface between chains.

  • A–B · 2035 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 6EWX · Structure of Pragmin pseudo-kinase reveals a dimerization mechanism to regulate protein… · the same entry in another collection · chain A against A, TM-score 1.00
  • D3ZMK9 · AlphaFold monomer V2.0 prediction for inactive tyrosine-protein kinase PRAG1 (D3ZMK9) · a predicted model of the same protein · chain B against A, TM-score 0.98

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