Research workbench
Quorum sensing control repressor, qscr, bound to N-3-oxo-dodecanoyl-L- homoserine lactone
Analyse Quorum sensing control repressor, qscr, bound to N-3-oxo-dodecanoyl-L… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3SZT
- Type
- protein
- Length
- 456 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Quorum-sensing control repressor
- UniProt
- Q9RMS5
- Ligands
- OHN, NA
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 56% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Quorum-sensing control repressor | protein | 233 | 56% helix, 14% strand | Q9RMS5 |
| B | Quorum-sensing control repressor | protein | 223 | 56% helix, 12% strand | Q9RMS5 |
Ligands and binding sites
- OHN · N-3-oxo-dodecanoyl-L-homoserine lactone · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 143 | 0.79 | 0.96 | 32 | OHN |
| 2 | 174 | 0.79 | 0.94 | 30 | OHN |
| 3 | 285 | 0.79 | 0.91 | 35 | empty |
| 4 | 404 | 0.72 | 0.83 | 71 | empty |
| 5 | 82 | 0.63 | 0.90 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1688 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 3SZT · Quorum Sensing Control Repressor, QscR, Bound to N-3-oxo-dodecanoyl-L-Homoserine Lactone · 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 Q9RMS5
- Elsewhere: RCSB PDB 3SZT · PDBe 3SZT · UniProt Q9RMS5
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.