MolNFT v1 · #138215 · protein
Crystal structure of MTOR(DELTAN)-MLST8-PRAS40(BETA-strand) complex
5WBY · SERINE/THREONINE-protein kinase mtor: “Crystal structure of MTOR(DELTAN)-MLST8-PRAS40(BETA-strand) complex”. X-ray diffraction, 20 pockets (best druggability 0.80). MolNFT v1 #138215 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5WBY
- Type
- protein
- Length
- 2,764 residues
- Chains
- 6
- 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, Q96B36
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 4 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 | 68% helix, 4% strand | P42345 |
| D, C | Target of rapamycin complex subunit LST8 | protein | 317 | 0% helix, 51% strand | Q9BVC4 |
| A | SERINE/THREONINE-protein kinase mtor (EC 2.7.11.1) | protein | 1052 | 67% helix, 4% strand | P42345 |
| P, O | Proline-rich AKT1 substrate 1 | protein | 10 | 0% helix, 20% strand | Q96B36 |
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 | 733 | 0.80 | 0.84 | 62 | empty |
| 2 | 683 | 0.80 | 0.84 | 60 | empty |
| 3 | 780 | 0.77 | 0.81 | 64 | empty |
| 4 | 789 | 0.76 | 0.80 | 56 | empty |
| 5 | 681 | 0.75 | 0.81 | 50 | empty |
Interfaces
6 interfaces between chains.
- B–D · 941 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 931 Ų buried · 15 hydrogen bonds · protein-protein
- B–A · 688 Ų buried · 5 hydrogen bonds · protein-protein
- D–P · 400 Ų buried · 4 hydrogen bonds · protein-protein
- C–O · 394 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5WBY · Crystal structure of mTOR(deltaN)-mLST8-PRAS40(beta-strand) complex · the same entry in another collection · chain P against P, 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 0.93
- Q96B36 · AlphaFold monomer V2.0 prediction for proline-rich AKT1 substrate 1 (Q96B36) · a predicted model of the same protein · chain O against A, TM-score 0.36
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
- Every structure of UniProt Q96B36
- Elsewhere: RCSB PDB 5WBY · PDBe 5WBY · UniProt P42345 · UniProt Q9BVC4 · UniProt Q96B36
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