MolNFT v1 · #168867 · protein
Human JAK2 JH1 domain in complex with baricitinib
6WTO · Tyrosine-protein kinase JAK2: “Human JAK2 JH1 domain in complex with baricitinib”. X-ray diffraction, 1 ligand (3JW), 1 pocket (best druggability 0.64). MolNFT v1 #168867 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6WTO
- Type
- protein
- Length
- 279 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
- 3JW
- Pockets
- 1 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase JAK2 (EC 2.7.10.2) | protein | 279 | 47% helix, 20% strand | O60674 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 398 | 0.64 | 0.78 | 47 | 3JW |
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 6WTO · Human JAK2 JH1 domain in complex with Baricitinib · 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 6WTO · PDBe 6WTO · UniProt O60674
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