MolNFT v1 · #49454 · protein
Crystal structure of abl kinase bound with ppy-a
2QOH · Proto-oncogene tyrosine-protein kinase ABL1: “Crystal structure of abl kinase bound with ppy-a”. X-ray diffraction, 1 ligand (P3Y), 5 pockets (best druggability 0.74). MolNFT v1 #49454 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2QOH
- Type
- protein
- Length
- 552 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proto-oncogene tyrosine-protein kinase ABL1
- EC
- 2.7.10.2
- UniProt
- P00520
- Ligands
- P3Y
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proto-oncogene tyrosine-protein kinase ABL1 (EC 2.7.10.2) | protein | 271 | 41% helix, 17% strand | P00520 |
| B | Proto-oncogene tyrosine-protein kinase ABL1 (EC 2.7.10.2) | protein | 281 | 44% helix, 16% strand | P00520 |
Ligands and binding sites
- P3Y · 5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1152 | 0.74 | 0.77 | 90 | P3Y |
| 2 | 250 | 0.70 | 0.85 | 37 | P3Y |
| 3 | 202 | 0.53 | 0.78 | 29 | empty |
| 4 | 86 | 0.45 | 0.80 | 19 | empty |
| 5 | 54 | 0.44 | 0.83 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 503 Ų buried · 4 hydrogen bonds · protein-protein
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 P00520
- Elsewhere: RCSB PDB 2QOH · PDBe 2QOH · UniProt P00520
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.