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JAK2 JH2 in complex with JAK190

Analyse JAK2 JH2 in complex with JAK190 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6OCC
Type
protein
Length
268 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tyrosine-protein kinase JAK2
EC
2.7.10.2
UniProt
O60674
Ligands
M57
Pockets
1 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATyrosine-protein kinase JAK2 (EC 2.7.10.2)protein26841% helix, 21% strandO60674

Ligands and binding sites

  • M57 · 2-[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenyl]-1,3-oxazole-4-carboxylic acid · ligand · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13640.680.8142GOL, M57

Compared structures

  • 6OCC · JAK2 JH2 in complex with JAK190 · the same entry in another collection · chain A against A, TM-score 1.00

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