MolNFT v1 · #137427 · protein
Crystal structure of JAK3 kinase domain in complex with a pyrrolopyridazine inhibitor
5VO6 · Tyrosine-protein kinase JAK3: “Crystal structure of JAK3 kinase domain in complex with a pyrrolopyridazine inhibitor”. X-ray diffraction, 1 ligand (9J4), 1 pocket (best druggability 0.58). MolNFT v1 #137427 on GenesisL1: 3D…
- PDB
- 5VO6
- Type
- protein
- Length
- 271 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein kinase JAK3
- EC
- 2.7.10.2
- UniProt
- P52333
- Ligands
- 9J4
- Pockets
- 1 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase JAK3 (EC 2.7.10.2) | protein | 271 | 44% helix, 20% strand | P52333 |
Ligands and binding sites
- 9J4 · 4-{[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide · ligand · chains A
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 | 212 | 0.58 | 0.80 | 28 | 9J4 |
Compared structures
- 5VO6 · Crystal structure of JAK3 kinase domain in complex with a pyrrolopyridazine inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- P52333 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase JAK3 (P52333) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P52333
- Elsewhere: RCSB PDB 5VO6 · PDBe 5VO6 · UniProt P52333
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