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MolNFT v1 · #169189 · protein

Co-structure of btk kinase domain with L-005298385 inhibitor

6X3P: “Co-structure of btk kinase domain with L-005298385 inhibitor”. X-ray diffraction, 1 ligand (UM4). MolNFT v1 #169189 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6X3P
Type
protein
Length
266 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q06187
Ligands
UM4

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein266—Q06187

Ligands and binding sites

  • UM4 · 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide · ligand · 2 copies · chains A
  • EDO · 1,2-ethanediol · additive · chains A
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Compared structures

  • 6X3P · Co-structure of BTK kinase domain with L-005298385 inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
  • Q06187 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase btk (Q06187) · a predicted model of the same protein · chain A against A, TM-score 0.98

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