MolNFT v1 · #60537 · protein
Integrated structural and functional model of the human escrt-II complex
3CUQ · Vacuolar-sorting protein SNF8: “Integrated structural and functional model of the human escrt-II complex”. X-ray diffraction, 14 pockets (best druggability 0.78). MolNFT v1 #60537 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3CUQ
- Type
- protein
- Length
- 693 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Vacuolar-sorting protein SNF8; Vacuolar protein-sorting-associated protein 36; Vacuolar…
- UniProt
- Q96H20, Q86VN1, Q9BRG1
- Pockets
- 14 · best druggability 0.78
Structure
x-ray diffraction · 4 distinct chains · 53% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Vacuolar-sorting protein SNF8 | protein | 219 | 58% helix, 10% strand | Q96H20 |
| B | Vacuolar protein-sorting-associated protein 36 | protein | 204 | 57% helix, 12% strand | Q86VN1 |
| C | Vacuolar protein-sorting-associated protein 25 | protein | 173 | 47% helix, 14% strand | Q9BRG1 |
| D | Vacuolar protein-sorting-associated protein 25 | protein | 97 | 44% helix, 9% strand | Q9BRG1 |
Pockets
14 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 833 | 0.78 | 0.81 | 84 | empty |
| 2 | 60 | 0.63 | 0.92 | 20 | empty |
| 3 | 331 | 0.57 | 0.76 | 32 | empty |
| 4 | 77 | 0.46 | 0.82 | 25 | empty |
| 5 | 175 | 0.44 | 0.74 | 25 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2366 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 866 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 739 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 256 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 43 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3CUQ · Integrated structural and functional model of the human ESCRT-II complex · the same entry in another collection · chain D against D, TM-score 1.00
- Q9BRG1 · AlphaFold monomer V2.0 prediction for vacuolar protein-sorting- associated protein 25… · a predicted model of the same protein · chain D against A, TM-score 0.94
- Q96H20 · AlphaFold monomer V2.0 prediction for vacuolar-sorting protein SNF8 (Q96H20) · a predicted model of the same protein · chain A against A, TM-score 0.89
- Q86VN1 · AlphaFold monomer V2.0 prediction for vacuolar protein-sorting- associated protein 36… · a predicted model of the same protein · chain B against A, TM-score 0.74
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 Q96H20
- Every structure of UniProt Q86VN1
- Every structure of UniProt Q9BRG1
- Elsewhere: RCSB PDB 3CUQ · PDBe 3CUQ · UniProt Q96H20 · UniProt Q86VN1 · UniProt Q9BRG1
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