MolNFT v1 · #138211 · protein
Crystal structure of MTOR(DELTAN)-MLST8-PRAS40(ALPHA-helix & beta- strand) complex
5WBU · SERINE/THREONINE-protein kinase mtor: “Crystal structure of MTOR(DELTAN)-MLST8-PRAS40(ALPHA-helix & beta- strand) complex”. X-ray diffraction, 20 pockets (best druggability 0.80). MolNFT v1 #138211 on GenesisL1: 3D structure…
- PDB
- 5WBU
- Type
- protein
- Length
- 2,804 residues
- Chains
- 8
- 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 · 5 distinct chains · 59% 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 | 0% helix, 51% strand | Q9BVC4 |
| P, O | Proline-rich AKT1 substrate 1 | protein | 9 | 0% helix, 22% strand | Q96B36 |
| R, Q | Proline-rich AKT1 substrate 1 | protein | 21 | 90% helix, 0% strand | Q96B36 |
| A | SERINE/THREONINE-protein kinase mtor (EC 2.7.11.1) | protein | 1052 | 67% helix, 4% strand | P42345 |
Pockets
20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 717 | 0.80 | 0.84 | 60 | empty |
| 2 | 705 | 0.80 | 0.84 | 61 | empty |
| 3 | 908 | 0.77 | 0.80 | 74 | empty |
| 4 | 774 | 0.77 | 0.81 | 76 | empty |
| 5 | 723 | 0.75 | 0.80 | 56 | empty |
Interfaces
9 interfaces between chains.
- B–D · 947 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 942 Ų buried · 15 hydrogen bonds · protein-protein
- B–A · 709 Ų buried · 4 hydrogen bonds · protein-protein
- B–R · 697 Ų buried · 0 hydrogen bonds · protein-protein
- A–Q · 681 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 5WBU · Crystal structure of mTOR(deltaN)-mLST8-PRAS40(alpha-helix & beta-strand) complex · the same entry in another collection · chain Q against Q, 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 R against A, TM-score 0.67
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 5WBU · PDBe 5WBU · UniProt P42345 · UniProt Q9BVC4 · UniProt Q96B36
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