Research workbench
The ROR1 pseudokinase domain bound to ponatinib
Analyse The ROR1 pseudokinase domain bound to ponatinib in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6TU9
- Type
- protein
- Length
- 526 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inactive tyrosine-protein kinase transmembrane receptor ROR1
- UniProt
- Q01973
- Ligands
- 0LI
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inactive tyrosine-protein kinase transmembrane receptor ROR1 | protein | 267 | 43% helix, 16% strand | Q01973 |
| B | Inactive tyrosine-protein kinase transmembrane receptor ROR1 | protein | 259 | 43% helix, 19% strand | Q01973 |
Ligands and binding sites
- 0LI · 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl) phenyl}benzamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 604 | 0.73 | 0.80 | 55 | 0LI |
| 2 | 507 | 0.70 | 0.80 | 49 | 0LI |
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 Q01973
- Elsewhere: RCSB PDB 6TU9 · PDBe 6TU9 · UniProt Q01973
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