MolNFT v1 · #21867 · protein
Crystal structure of the unphosphorylated interleukin-2 tyrosine kinase catalytic domain
1SNU · Tyrosine-protein kinase ITK/TSK: “Crystal structure of the unphosphorylated interleukin-2 tyrosine kinase catalytic domain”. X-ray diffraction, 1 ligand (STU), 4 pockets (best druggability 0.66). MolNFT v1 #21867 on GenesisL1: 3D…
- PDB
- 1SNU
- Type
- protein
- Length
- 486 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein kinase ITK/TSK
- EC
- 2.7.1.112
- UniProt
- Q08881
- Ligands
- STU
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase ITK/TSK (EC 2.7.1.112) | protein | 245 | 40% helix, 16% strand | Q08881 |
| B | Tyrosine-protein kinase ITK/TSK (EC 2.7.1.112) | protein | 241 | 42% helix, 17% strand | Q08881 |
Ligands and binding sites
- STU · Staurosporine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 392 | 0.66 | 0.79 | 43 | STU |
| 2 | 260 | 0.64 | 0.81 | 33 | STU |
| 3 | 57 | 0.49 | 0.85 | 16 | empty |
| 4 | 57 | 0.25 | 0.72 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 134 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1SNU · Crystal structure of the unphosphorylated interleukin-2 tyrosine kinase catalytic domain · the same entry in another collection · chain A against A, TM-score 1.00
- Q08881 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase ITK/TSK (Q08881) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 Q08881
- Elsewhere: RCSB PDB 1SNU · PDBe 1SNU · UniProt Q08881
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