MolNFT v1 · #138421 · protein
JAK2 pseudokinase in complex with JNJ7706621
5WIN · Tyrosine-protein kinase JAK2: “JAK2 pseudokinase in complex with JNJ7706621”. X-ray diffraction, 1 ligand (SKE), 2 pockets (best druggability 0.64). MolNFT v1 #138421 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5WIN
- 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
- SKE
- Pockets
- 2 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase JAK2 (EC 2.7.10.2) | protein | 274 | 41% helix, 21% strand | O60674 |
Ligands and binding sites
- SKE · 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide · 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 | 289 | 0.64 | 0.81 | 44 | SKE |
| 2 | 87 | 0.37 | 0.76 | 20 | empty |
Compared structures
- 5WIN · JAK2 Pseudokinase in complex with JNJ7706621 · 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 5WIN · PDBe 5WIN · UniProt O60674
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.