MolNFT v1 · #94212 · protein
Crystal structure of the ATG17-ATG31-ATG29 complex
4HPQ: “Crystal structure of the ATG17-ATG31-ATG29 complex”. X-ray diffraction, 13 pockets (best druggability 0.66). MolNFT v1 #94212 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4HPQ
- Type
- protein
- Length
- 1,160 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATG29; ATG31; ATG17
- UniProt
- C5DF24, C5DEB9, C5DFJ6
- Pockets
- 13 · best druggability 0.66
Structure
x-ray diffraction · 3 distinct chains · 67% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | ATG29 | protein | 69 | 48% helix, 7% strand | C5DF24 |
| B, E | ATG31 | protein | 115 | 17% helix, 32% strand | C5DEB9 |
| C, F | ATG17 | protein | 396 | 85% helix, 1% strand | C5DFJ6 |
Pockets
13 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 384 | 0.66 | 0.79 | 45 | empty |
| 2 | 414 | 0.65 | 0.78 | 48 | empty |
| 3 | 79 | 0.46 | 0.81 | 17 | empty |
| 4 | 73 | 0.46 | 0.82 | 16 | empty |
| 5 | 67 | 0.44 | 0.81 | 10 | empty |
Interfaces
6 interfaces between chains.
- C–F · 2506 Ų buried · 29 hydrogen bonds · protein-protein
- A–B · 1655 Ų buried · 25 hydrogen bonds · protein-protein
- D–E · 1634 Ų buried · 27 hydrogen bonds · protein-protein
- B–C · 1532 Ų buried · 21 hydrogen bonds · protein-protein
- E–F · 1475 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 4HPQ · Crystal Structure of the Atg17-Atg31-Atg29 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
- Elsewhere: RCSB PDB 4HPQ · PDBe 4HPQ · UniProt C5DF24 · UniProt C5DEB9 · UniProt C5DFJ6
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