MolNFT v1 · #135259 · protein
JAK3 with covalent inhibitor 7
5TTU · Tyrosine-protein kinase JAK3: “JAK3 with covalent inhibitor 7”. X-ray diffraction, 2 ligands (7KV, SO4), 1 pocket (best druggability 0.68). MolNFT v1 #135259 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5TTU
- 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
- 7KV, SO4
- Pockets
- 1 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase JAK3 (EC 2.7.10.2) | protein | 271 | 45% helix, 20% strand | P52333 |
Ligands and binding sites
- 7KV · 1-[(3ar,7ar)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl) octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · 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 | 413 | 0.68 | 0.80 | 44 | 7KV, SO4 |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
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 5TTU · PDBe 5TTU · UniProt P52333
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