Research workbench
Structure of pseudomonas quinolone signal response protein pqse
Analyse Structure of pseudomonas quinolone signal response protein pqse in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2Q0J
- Type
- protein
- Length
- 611 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Quinolone signal response protein
- UniProt
- Q02IG5
- Ligands
- BEZ, FE
- Pockets
- 5 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Quinolone signal response protein | protein | 310 | 38% helix, 22% strand | Q02IG5 |
| B | Quinolone signal response protein | protein | 301 | 39% helix, 23% strand | Q02IG5 |
Ligands and binding sites
- BEZ · Benzoic acid · ligand · 2 copies · chains A, B
- FE · Fe (III) ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 268 | 0.66 | 0.83 | 42 | BEZ |
| 2 | 294 | 0.66 | 0.82 | 45 | empty |
| 3 | 298 | 0.65 | 0.81 | 33 | empty |
| 4 | 233 | 0.64 | 0.82 | 31 | BEZ |
| 5 | 54 | 0.28 | 0.74 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1311 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 2Q0J · Structure of Pseudomonas Quinolone Signal Response Protein PqsE · 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 Q02IG5
- Elsewhere: RCSB PDB 2Q0J · PDBe 2Q0J · UniProt Q02IG5
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