MolNFT v1 · #57440 · protein
The crystal structure of the coiled-coil domain of saccharomyces cerevisiae ATG16
3A7O · Autophagy protein 16: “The crystal structure of the coiled-coil domain of saccharomyces cerevisiae ATG16”. X-ray diffraction, 2 pockets (best druggability 0.65). MolNFT v1 #57440 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3A7O
- Type
- protein
- Length
- 342 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Autophagy protein 16
- UniProt
- Q03818
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 6 distinct chains · 95% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Autophagy protein 16 | protein | 59 | 97% helix, 0% strand | Q03818 |
| B | Autophagy protein 16 | protein | 54 | 94% helix, 0% strand | Q03818 |
| C | Autophagy protein 16 | protein | 53 | 91% helix, 0% strand | Q03818 |
| D | Autophagy protein 16 | protein | 58 | 97% helix, 0% strand | Q03818 |
| E | Autophagy protein 16 | protein | 60 | 97% helix, 0% strand | Q03818 |
| F | Autophagy protein 16 | protein | 58 | 95% helix, 0% strand | Q03818 |
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 336 | 0.65 | 0.80 | 49 | empty |
| 2 | 239 | 0.63 | 0.82 | 30 | empty |
Interfaces
9 interfaces between chains.
- E–F · 1394 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 1361 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 1334 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 273 Ų buried · 2 hydrogen bonds · protein-protein
- C–F · 251 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3A7O · The crystal structure of the coiled-coil domain of Saccharomyces cerevisiae Atg16 · the same entry in another collection · chain F against F, TM-score 1.00
- Q03818 · AlphaFold monomer V2.0 prediction for autophagy protein 16 (Q03818) · a predicted model of the same protein · chain F against A, TM-score 0.92
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 Q03818
- Elsewhere: RCSB PDB 3A7O · PDBe 3A7O · UniProt Q03818
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