MolNFT v1 · #168719 · protein
Avenolide binding autoregulator AVAR1
6WP7: “Avenolide binding autoregulator AVAR1”. X-ray diffraction, 13 pockets (best druggability 0.79). MolNFT v1 #168719 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6WP7
- Type
- protein
- Length
- 841 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AVAR1
- UniProt
- Q82H41
- Pockets
- 13 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 70% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | AVAR1 | protein | 212 | 70% helix, 1% strand | Q82H41 |
| B | AVAR1 | protein | 211 | 70% helix, 1% strand | Q82H41 |
| C | AVAR1 | protein | 204 | 70% helix, 1% strand | Q82H41 |
| D | AVAR1 | protein | 214 | 70% helix, 1% strand | Q82H41 |
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 95 | 0.79 | 0.99 | 22 | empty |
| 2 | 124 | 0.78 | 0.96 | 24 | empty |
| 3 | 96 | 0.77 | 0.97 | 21 | empty |
| 4 | 144 | 0.73 | 0.92 | 28 | empty |
| 5 | 183 | 0.63 | 0.84 | 29 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1801 Ų buried · 23 hydrogen bonds · protein-protein
- C–D · 1658 Ų buried · 17 hydrogen bonds · protein-protein
- B–D · 357 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 339 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 331 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 19 modified (engineered).
Compared structures
- 6WP7 · Avenolide Binding Autoregulator AvaR1 · 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 Q82H41
- Elsewhere: RCSB PDB 6WP7 · PDBe 6WP7 · UniProt Q82H41
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