MolNFT v1 · #169187 · protein
Co-structure of btk kinase domain with L-005085737 inhibitor
6X3N · Tyrosine-protein kinase btk: “Co-structure of btk kinase domain with L-005085737 inhibitor”. X-ray diffraction, 2 ligands (ULV, 5WE), 1 pocket (best druggability 0.77). MolNFT v1 #169187 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6X3N
- Type
- protein
- Length
- 254 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
- ULV, 5WE
- Pockets
- 1 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase btk (EC 2.7.10.2) | protein | 254 | 43% helix, 18% strand | Q06187 |
Ligands and binding sites
- ULV · 4-{8-amino-3-[(6r,8as)-3-oxohexahydro-3H-[1, 3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide · ligand · chains A
- 5WE · 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino) butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide · 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 | 409 | 0.77 | 0.86 | 46 | ULV |
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 6X3N · PDBe 6X3N · UniProt Q06187
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