MolNFT v1 · #144389 · protein
JAK2 JH2 in complex with 63552444
6BS0 · Tyrosine-protein kinase JAK2: “JAK2 JH2 in complex with 63552444”. X-ray diffraction, 1 ligand (E4V), 2 pockets (best druggability 0.65). MolNFT v1 #144389 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6BS0
- Type
- protein
- Length
- 272 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
- E4V
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase JAK2 (EC 2.7.10.2) | protein | 272 | 44% helix, 21% strand | O60674 |
Ligands and binding sites
- E4V · 4-(5-aminopyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine · ligand · chains A
- GOL · Glycerol · additive · 3 copies · 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 | 388 | 0.65 | 0.79 | 39 | E4V, GOL |
| 2 | 54 | 0.34 | 0.78 | 16 | empty |
Compared structures
- 6BS0 · JAK2 JH2 in complex with 63552444 · 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 6BS0 · PDBe 6BS0 · UniProt O60674
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