MolNFT v1 · #138417 · protein
JAK2 pseudokinase in complex with NU6140
5WIJ · Tyrosine-protein kinase JAK2: “JAK2 pseudokinase in complex with NU6140”. X-ray diffraction, 1 ligand (AQG), 2 pockets (best druggability 0.69). MolNFT v1 #138417 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5WIJ
- Type
- protein
- Length
- 274 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
- AQG
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase JAK2 (EC 2.7.10.2) | protein | 274 | 43% helix, 22% strand | O60674 |
Ligands and binding sites
- AQG · 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide · 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 | 370 | 0.69 | 0.82 | 42 | AQG |
| 2 | 55 | 0.37 | 0.79 | 15 | empty |
Compared structures
- 5WIJ · JAK2 Pseudokinase in complex with NU6140 · 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 5WIJ · PDBe 5WIJ · UniProt O60674
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.