MolNFT v1 · #17313 · protein
Structural basis for the auto-inhibition of C-abl tyrosine kinase
1OPK · Proto-oncogene tyrosine-protein kinase ABL1: “Structural basis for the auto-inhibition of C-abl tyrosine kinase”. X-ray diffraction, 2 ligands (MYR, P16), 7 pockets (best druggability 0.75). MolNFT v1 #17313 on GenesisL1: 3D…
- PDB
- 1OPK
- Type
- protein
- Length
- 449 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proto-oncogene tyrosine-protein kinase ABL1
- EC
- 2.7.1.112
- UniProt
- P00520
- Ligands
- MYR, P16
- Pockets
- 7 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proto-oncogene tyrosine-protein kinase ABL1 (EC 2.7.1.112) | protein | 449 | 32% helix, 23% strand | P00520 |
Ligands and binding sites
- MYR · Myristic acid · ligand · chains A
- P16 · 6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one · ligand · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 988 | 0.75 | 0.78 | 68 | empty |
| 2 | 182 | 0.73 | 0.89 | 26 | P16 |
| 3 | 115 | 0.59 | 0.85 | 21 | MYR |
| 4 | 103 | 0.48 | 0.81 | 20 | empty |
| 5 | 183 | 0.45 | 0.74 | 27 | empty |
Compared structures
- 1OPK · Structural basis for the auto-inhibition of c-Abl tyrosine kinase · the same entry in another collection · chain A against A, TM-score 1.00
- P00520 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase ABL1 (P00520) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P00520
- Elsewhere: RCSB PDB 1OPK · PDBe 1OPK · UniProt P00520
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