MolNFT v1 · #67569 · protein
2-AMINOPYRAZOLO[1,5-A]PYRIMIDINES as potent and selective inhibitors of JAK2
3IO7 · Tyrosine-protein kinase JAK2: “2-AMINOPYRAZOLO[1,5-A]PYRIMIDINES as potent and selective inhibitors of JAK2”. X-ray diffraction, 1 ligand (1P5), 2 pockets (best druggability 0.68). MolNFT v1 #67569 on GenesisL1: 3D structure…
- PDB
- 3IO7
- Type
- protein
- Length
- 284 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein kinase JAK2
- EC
- 2.7.10.2
- UniProt
- O60674
- Ligands
- 1P5
- Pockets
- 2 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase JAK2 (EC 2.7.10.2) | protein | 284 | 43% helix, 18% strand | O60674 |
Ligands and binding sites
- 1P5 · (3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 491 | 0.68 | 0.79 | 53 | 1P5 |
| 2 | 69 | 0.28 | 0.73 | 19 | empty |
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 3IO7 · 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2 · the same entry in another collection · chain A against A, TM-score 1.00
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 O60674
- Elsewhere: RCSB PDB 3IO7 · PDBe 3IO7 · UniProt O60674
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.