MolNFT v1 · #167003 · protein
Structure of a phage-encoded quorum sensing anti-activator, AQS1
6V7V · Quorum sensing anti-activator AQS1: “Structure of a phage-encoded quorum sensing anti-activator, AQS1”. X-ray diffraction, 6 pockets (best druggability 0.42). MolNFT v1 #167003 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6V7V
- Type
- protein
- Length
- 352 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Quorum sensing anti-activator AQS1
- UniProt
- A0SML3
- Pockets
- 6 · best druggability 0.42
Structure
x-ray diffraction · 4 distinct chains · 87% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Quorum sensing anti-activator AQS1 | protein | 62 | 87% helix, 0% strand | A0SML3 |
| B | Quorum sensing anti-activator AQS1 | protein | 56 | 88% helix, 0% strand | A0SML3 |
| C, E | Quorum sensing anti-activator AQS1 | protein | 62 | 87% helix, 0% strand | A0SML3 |
| D, F | Quorum sensing anti-activator AQS1 | protein | 55 | 87% helix, 0% strand | A0SML3 |
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 112 | 0.42 | 0.76 | 21 | empty |
| 2 | 73 | 0.36 | 0.77 | 16 | empty |
| 3 | 67 | 0.32 | 0.75 | 12 | empty |
| 4 | 62 | 0.31 | 0.75 | 14 | empty |
| 5 | 58 | 0.27 | 0.74 | 15 | empty |
Interfaces
9 interfaces between chains.
- E–F · 932 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 922 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 909 Ų buried · 3 hydrogen bonds · protein-protein
- D–E · 565 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 560 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6V7V · Structure of a phage-encoded quorum sensing anti-activator, Aqs1 · 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 A0SML3
- Elsewhere: RCSB PDB 6V7V · PDBe 6V7V · UniProt A0SML3
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