MolNFT v1 · #102961 · protein
Crystal structure of ATG13(17BR)-ATG17-ATG29-ATG31 complex
4P1W: “Crystal structure of ATG13(17BR)-ATG17-ATG29-ATG31 complex”. X-ray diffraction, 13 pockets (best druggability 0.68). MolNFT v1 #102961 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4P1W
- Type
- protein
- Length
- 1,193 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATG29; ATG31; ATG17; ATG13 17BR
- UniProt
- C5DF24, C5DEB9, C5DFJ6, C5DB94
- Pockets
- 13 · best druggability 0.68
Structure
x-ray diffraction · 7 distinct chains · 67% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATG29 | protein | 72 | 54% helix, 10% strand | C5DF24 |
| B | ATG31 | protein | 135 | 16% helix, 29% strand | C5DEB9 |
| C | ATG17 | protein | 399 | 85% helix, 2% strand | C5DFJ6 |
| D | ATG29 | protein | 66 | 55% helix, 12% strand | C5DF24 |
| E | ATG31 | protein | 126 | 19% helix, 31% strand | C5DEB9 |
| F | ATG17 | protein | 389 | 86% helix, 2% strand | C5DFJ6 |
| G | ATG13 17BR | protein | 6 | 0% helix, 0% strand | C5DB94 |
Pockets
13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 453 | 0.68 | 0.79 | 56 | empty |
| 2 | 343 | 0.63 | 0.79 | 44 | empty |
| 3 | 300 | 0.57 | 0.76 | 36 | empty |
| 4 | 354 | 0.56 | 0.75 | 46 | empty |
| 5 | 252 | 0.55 | 0.77 | 27 | empty |
Interfaces
6 interfaces between chains.
- C–F · 2625 Ų buried · 30 hydrogen bonds · protein-protein
- A–B · 1858 Ų buried · 25 hydrogen bonds · protein-protein
- D–E · 1571 Ų buried · 22 hydrogen bonds · protein-protein
- E–F · 1553 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 1547 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 4P1W · Crystal structure of Atg13(17BR)-Atg17-Atg29-Atg31 complex · the same entry in another collection · chain A against A, TM-score 1.00
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 C5DF24
- Every structure of UniProt C5DEB9
- Every structure of UniProt C5DFJ6
- Every structure of UniProt C5DB94
- Elsewhere: RCSB PDB 4P1W · PDBe 4P1W · UniProt C5DF24 · UniProt C5DEB9 · UniProt C5DFJ6 · UniProt C5DB94
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