MolNFT v1 · #96755 · protein
Structure of mtordeltan-MLST8-TORIN2 complex
4JSX · SERINE/THREONINE-protein kinase mtor: “Structure of mtordeltan-MLST8-TORIN2 complex”. X-ray diffraction, 1 ligand (17G), 20 pockets (best druggability 0.82). MolNFT v1 #96755 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4JSX
- Type
- protein
- Length
- 2,746 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase mtor; Target of rapamycin complex subunit LST8
- EC
- 2.7.11.1
- UniProt
- P42345, Q9BVC4
- Ligands
- 17G
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 58% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | SERINE/THREONINE-protein kinase mtor (EC 2.7.11.1) | protein | 1058 | 67% helix, 4% strand | P42345 |
| D, C | Target of rapamycin complex subunit LST8 | protein | 317 | 1% helix, 50% strand | Q9BVC4 |
| A | SERINE/THREONINE-protein kinase mtor (EC 2.7.11.1) | protein | 1054 | 67% helix, 4% strand | P42345 |
Ligands and binding sites
- 17G · 9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl) phenyl]benzo[h][1,6]naphthyridin-2(1H)-one · ligand · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 971 | 0.82 | 0.83 | 74 | empty |
| 2 | 950 | 0.81 | 0.83 | 76 | empty |
| 3 | 1179 | 0.78 | 0.80 | 86 | empty |
| 4 | 964 | 0.78 | 0.80 | 70 | empty |
| 5 | 806 | 0.77 | 0.81 | 76 | empty |
Interfaces
4 interfaces between chains.
- B–D · 941 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 924 Ų buried · 13 hydrogen bonds · protein-protein
- B–A · 691 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 151 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4JSX · structure of mTORDeltaN-mLST8-Torin2 complex · the same entry in another collection · chain B against B, TM-score 1.00
- Q9BVC4 · AlphaFold monomer V2.0 prediction for target of rapamycin complex subunit LST8 (Q9BVC4) · a predicted model of the same protein · chain D against A, TM-score 0.98
- P42345 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase mtor (P42345) · a predicted model of the same protein · chain B against A, TM-score 0.94
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 P42345
- Every structure of UniProt Q9BVC4
- Elsewhere: RCSB PDB 4JSX · PDBe 4JSX · UniProt P42345 · UniProt Q9BVC4
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.