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Crystal structure of JAK3 kinase domain with a 4,6-diaminonicotinamide inhibitor (compound number 7)

Analyse Crystal structure of JAK3 kinase domain with a 4,6-diaminonicotinamide… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5W86
Type
protein
Length
1,089 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P52333
Ligands
9YV

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein271—P52333
B—protein269—P52333
C—protein275—P52333
D—protein274—P52333

Ligands and binding sites

  • 9YV · 4-(benzylamino)-6-({4-[(1-methylpiperidin-4-yl) carbamoyl]phenyl}amino)pyridine-3-carboxamide · ligand · 4 copies · chains A, B, C, D

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

Compared structures

  • 5W86 · Crystal structure of JAK3 kinase domain with a 4,6-diaminonicotinamide inhibitor… · the same entry in another collection · chain D against D, TM-score 1.00
  • P52333 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase JAK3 (P52333) · a predicted model of the same protein · chain A against A, TM-score 0.98

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