MolNFT v1 · #102682 · protein
Crystal structure of btk kinase domain complexed with 4-tert-butyl-N- (3-{8-[4-(4-methyl-piperazine-1-carbonyl)-phenylamino]-IMIDAZO[1,2- A]PYRAZIN-6-yl}-phenyl)-benzamide
4OT5 · Tyrosine-protein kinase btk: “Crystal structure of btk kinase domain complexed with 4-tert-butyl-N…”. X-ray diffraction, 1 ligand (481), 1 pocket (best druggability 0.71). MolNFT v1 #102682 on GenesisL1: 3D structure, binding sites…
- PDB
- 4OT5
- Type
- protein
- Length
- 263 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
- 481
- Pockets
- 1 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase btk (EC 2.7.10.2) | protein | 263 | 43% helix, 17% strand | Q06187 |
Ligands and binding sites
- 481 · 4-tert-butyl-N-{3-[8-({4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}amino)imidazo[1,2-a]pyrazin-6-yl]phenyl}benzamide · ligand · chains A
- DMS · Dimethyl sulfoxide · additive · 2 copies · 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 | 431 | 0.71 | 0.82 | 54 | 481 |
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 4OT5 · PDBe 4OT5 · UniProt Q06187
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