Research workbench
ABL1 kinase (T334I_D382N) in complex with asciminib and nilotinib
Analyse ABL1 kinase (T334I_D382N) in complex with asciminib and nilotinib in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5MO4
- Type
- protein
- Length
- 429 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein kinase ABL1
- EC
- 2.7.10.2
- UniProt
- P00519
- Ligands
- NIL, AY7
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase ABL1 (EC 2.7.10.2) | protein | 429 | 33% helix, 22% strand | P00519 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 856 | 0.75 | 0.79 | 67 | empty |
| 2 | 251 | 0.73 | 0.87 | 36 | NIL |
| 3 | 124 | 0.61 | 0.85 | 23 | AY7 |
| 4 | 82 | 0.50 | 0.83 | 19 | empty |
| 5 | 60 | 0.36 | 0.79 | 15 | empty |
Compared structures
- 5MO4 · ABL1 kinase (T334I_D382N) in complex with asciminib and nilotinib · the same entry in another collection · chain A against A, TM-score 1.00
- P00519 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase ABL1 (P00519) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P00519
- Elsewhere: RCSB PDB 5MO4 · PDBe 5MO4 · UniProt P00519
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