MolNFT v1 · #162699 · protein
Complex of KLATG21 with coiled-coil of AGATG16
6RGO · Autophagy-related protein 21: “Complex of KLATG21 with coiled-coil of AGATG16”. X-ray diffraction, 9 pockets (best druggability 0.79). MolNFT v1 #162699 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6RGO
- Type
- protein
- Length
- 727 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Autophagy-related protein 21; Autophagy protein 16
- UniProt
- Q6CLZ2, Q755K3
- Pockets
- 9 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 17% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Autophagy-related protein 21 | protein | 327 | 0% helix, 45% strand | Q6CLZ2 |
| C | Autophagy protein 16 | protein | 38 | 95% helix, 0% strand | Q755K3 |
| D | Autophagy protein 16 | protein | 35 | 94% helix, 0% strand | Q755K3 |
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1005 | 0.79 | 0.80 | 111 | empty |
| 2 | 685 | 0.77 | 0.82 | 71 | empty |
| 3 | 100 | 0.55 | 0.84 | 24 | empty |
| 4 | 51 | 0.54 | 0.90 | 21 | empty |
| 5 | 86 | 0.52 | 0.83 | 25 | empty |
Interfaces
5 interfaces between chains.
- C–D · 923 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 781 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 741 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 204 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 43 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6RGO · Complex of KlAtg21 with coiled-coil of AgAtg16 · the same entry in another collection · chain D against D, TM-score 1.00
- Q6CLZ2 · AlphaFold monomer V2.0 prediction for autophagy-related protein 21 (Q6CLZ2) · a predicted model of the same protein · chain B against A, TM-score 0.95
- Q755K3 · AlphaFold monomer V2.0 prediction for autophagy protein 16 (Q755K3) · a predicted model of the same protein · chain C against A, TM-score 0.93
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 Q6CLZ2
- Every structure of UniProt Q755K3
- Elsewhere: RCSB PDB 6RGO · PDBe 6RGO · UniProt Q6CLZ2 · UniProt Q755K3
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