MolNFT v1 · #156602 · protein
JAK2 JH2 in complex with diaminopyrimidine JAK040
6M9H · Tyrosine-protein kinase JAK2: “JAK2 JH2 in complex with diaminopyrimidine JAK040”. X-ray diffraction, 1 ligand (J9D), 2 pockets (best druggability 0.68). MolNFT v1 #156602 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6M9H
- Type
- protein
- Length
- 273 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
- J9D
- Pockets
- 2 · best druggability 0.68
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 | 273 | 44% helix, 21% strand | O60674 |
Ligands and binding sites
- J9D · 4-({4-amino-6-[4-(2-hydroxyethyl)-1H-imidazol-1-yl]pyrimidin-2-yl}amino)benzonitrile · ligand · chains A
- GOL · Glycerol · additive · chains A
- DMS · Dimethyl sulfoxide · additive · 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 | 355 | 0.68 | 0.81 | 41 | J9D, GOL |
| 2 | 77 | 0.43 | 0.80 | 19 | empty |
Compared structures
- 6M9H · JAK2 JH2 in complex with diaminopyrimidine JAK040 · 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 6M9H · PDBe 6M9H · UniProt O60674
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