MolNFT v1 · #167005 · protein
Structure of a phage-encoded quorum sensing anti-activator, AQS1 bound to lasr
6V7X · Quorum sensing anti-activator protein AQS1: “Structure of a phage-encoded quorum sensing anti-activator, AQS1 bound to lasr”. X-ray diffraction, 1 ligand (OHN), 6 pockets (best druggability 0.80). MolNFT v1 #167005 on GenesisL1: 3D…
- PDB
- 6V7X
- Type
- protein
- Length
- 337 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Quorum sensing anti-activator protein AQS1; Transcriptional regulator lasr
- UniProt
- A0SML3, A0A0H2Z901
- Ligands
- OHN
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 59% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Quorum sensing anti-activator protein AQS1 | protein | 57 | 81% helix, 0% strand | A0SML3 |
| B | Transcriptional regulator lasr | protein | 234 | 53% helix, 12% strand | A0A0H2Z901 |
| C | Quorum sensing anti-activator protein AQS1 | protein | 46 | 63% helix, 0% strand | A0SML3 |
Ligands and binding sites
- OHN · N-3-oxo-dodecanoyl-L-homoserine lactone · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 186 | 0.80 | 0.94 | 31 | OHN |
| 2 | 149 | 0.43 | 0.75 | 24 | empty |
| 3 | 94 | 0.38 | 0.76 | 16 | empty |
| 4 | 79 | 0.37 | 0.76 | 16 | empty |
| 5 | 80 | 0.34 | 0.75 | 15 | empty |
Interfaces
3 interfaces between chains.
- A–C · 769 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 522 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 516 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 6V7X · Structure of a phage-encoded quorum sensing anti-activator, Aqs1 bound to LasR · 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
- Every structure of UniProt A0A0H2Z901
- Elsewhere: RCSB PDB 6V7X · PDBe 6V7X · UniProt A0SML3 · UniProt A0A0H2Z901
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