MolNFT v2 · #144136 · protein
Crystal structure of BRUTON'S tyrosine kinase in complex with inhibitor CGI2625
6AUA: “Crystal structure of BRUTON'S tyrosine kinase in complex with inhibitor CGI2625”. X-ray diffraction at 1.66, 2 ligands (BXJ, SO4). MolNFT v2 #144136 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6AUA
- Type
- protein
- Length
- 265 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.66
- Source
- Homo sapiens
- UniProt
- Q06187
- Ligands
- BXJ, SO4
Structure
x-ray diffraction · resolution 1.66 · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 265 | — | Q06187 |
Ligands and binding sites
- BXJ · N-{3-[(2R)-6-{[3-amino-4-(morpholine-4-carbonyl) phenyl]amino}-5-oxo-2,5-dihydropyrazin-2-yl]-2-methylphenyl}-4-(piperidin-1-yl)benzamide · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6AUA · Crystal structure of BRUTON'S tyrosine kinase in complex with inhibitor CGI2625 · 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 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q06187
- Elsewhere: RCSB PDB 6AUA · PDBe 6AUA · UniProt Q06187
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