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MolNFT v1 · #142267 · protein

Crystal structure of BRUTON'S tyrosine kinase in complex with inhibitor 2E

5ZZ4: “Crystal structure of BRUTON'S tyrosine kinase in complex with inhibitor 2E”. X-ray diffraction, 1 ligand (9M3). MolNFT v1 #142267 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5ZZ4
Type
protein
Length
1,574 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q06187
Ligands
9M3

Structure

x-ray diffraction · 3 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein261—Q06187
B, D, F—protein263—Q06187
C, E—protein262—Q06187

Ligands and binding sites

  • 9M3 · N-[3-(4-amino-6-{[4-(morpholine-4-carbonyl) phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide · ligand · 6 copies · chains A, B, C, D, E, F

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

Compared structures

  • 5ZZ4 · Crystal structure of bruton's tyrosine kinase in complex with inhibitor 2e · the same entry in another collection · chain F against F, 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 0.99

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