MolNFT v1 · #75197 · protein
Crystal structure of btk kinase domain complexed with 2-[4-(2- diethylamino-ethoxy)-phenylamino]-6-(4-fluoro-phenoxy)-8-methyl-8H- PYRIDO[2,3-D]PYRIMIDIN-7-one
3PJ2 · Tyrosine-protein kinase btk: “Crystal structure of btk kinase domain complexed with 2-[4-(2…”. X-ray diffraction, 1 ligand (04K), 1 pocket (best druggability 0.63). MolNFT v1 #75197 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3PJ2
- Type
- protein
- Length
- 248 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein kinase btk
- EC
- 2.7.10.2
- UniProt
- Q06187
- Ligands
- 04K
- Pockets
- 1 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase btk (EC 2.7.10.2) | protein | 248 | 45% helix, 17% strand | Q06187 |
Ligands and binding sites
- 04K · 2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-6-(4-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one · ligand · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 306 | 0.63 | 0.80 | 37 | 04K |
Compared structures
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 3PJ2 · PDBe 3PJ2 · UniProt Q06187
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