Research workbench
Mtor kinase structure, mechanism and regulation.
Analyse Mtor kinase structure, mechanism and regulation. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4JSV
- Type
- protein
- Length
- 2,750 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
- ADP, MGF, MG
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | SERINE/THREONINE-protein kinase mtor (EC 2.7.11.1) | protein | 1058 | 66% helix, 4% strand | P42345 |
| D, C | Target of rapamycin complex subunit LST8 | protein | 317 | 0% helix, 50% strand | Q9BVC4 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains B, A
- MGF · Trifluoromagnesate · ligand · 2 copies · chains B, A
- MG · Magnesium ion · metal · 4 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, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 924 | 0.82 | 0.83 | 75 | empty |
| 2 | 1004 | 0.81 | 0.83 | 76 | empty |
| 3 | 1129 | 0.78 | 0.80 | 74 | empty |
| 4 | 949 | 0.78 | 0.80 | 65 | empty |
| 5 | 727 | 0.76 | 0.81 | 54 | empty |
Interfaces
4 interfaces between chains.
- B–D · 955 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 948 Ų buried · 11 hydrogen bonds · protein-protein
- B–A · 725 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 155 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4JSV · mTOR kinase structure, mechanism and regulation. · 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 4JSV · PDBe 4JSV · UniProt P42345 · UniProt Q9BVC4
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