Research workbench
Crystal structure of pqsbc from pseudomonas aeruginosa (crystal form 2)
Analyse Crystal structure of pqsbc from pseudomonas aeruginosa (crystal form 2) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6ET1
- Type
- protein
- Length
- 2,513 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pqsc; Pqsb
- UniProt
- Q9I4X1, Q9I4X2
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 7 distinct chains · 30% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pqsc | protein | 348 | 32% helix, 26% strand | Q9I4X1 |
| B | Pqsb | protein | 280 | 26% helix, 28% strand | Q9I4X2 |
| C | Pqsc | protein | 346 | 33% helix, 27% strand | Q9I4X1 |
| D, H | Pqsb | protein | 278 | 24% helix, 28% strand | Q9I4X2 |
| E | Pqsc | protein | 350 | 32% helix, 26% strand | Q9I4X1 |
| F | Pqsb | protein | 279 | 26% helix, 28% strand | Q9I4X2 |
| G | Pqsc | protein | 354 | 34% helix, 26% strand | Q9I4X1 |
Pockets
20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 591 | 0.78 | 0.84 | 60 | empty |
| 2 | 517 | 0.75 | 0.82 | 55 | empty |
| 3 | 1082 | 0.74 | 0.77 | 97 | empty |
| 4 | 511 | 0.74 | 0.82 | 57 | empty |
| 5 | 888 | 0.73 | 0.78 | 65 | empty |
Interfaces
12 interfaces between chains.
- A–B · 2301 Ų buried · 35 hydrogen bonds · protein-protein
- G–H · 2285 Ų buried · 35 hydrogen bonds · protein-protein
- E–F · 2283 Ų buried · 36 hydrogen bonds · protein-protein
- C–D · 2281 Ų buried · 33 hydrogen bonds · protein-protein
- B–E · 832 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (oxidation).
Compared structures
- 6ET1 · Crystal structure of PqsBC from Pseudomonas aeruginosa (crystal form 2) · the same entry in another collection · chain H against H, TM-score 1.00
- Q9I4X1 · AlphaFold monomer V2.0 prediction for 2-heptyl-4(1H)-quinolone synthase subunit pqsc… · a predicted model of the same protein · chain C against A, TM-score 0.98
- Q9I4X2 · AlphaFold monomer V2.0 prediction for 2-heptyl-4(1H)-quinolone synthase subunit pqsb… · a predicted model of the same protein · chain D against A, TM-score 0.98
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 Q9I4X1
- Every structure of UniProt Q9I4X2
- Elsewhere: RCSB PDB 6ET1 · PDBe 6ET1 · UniProt Q9I4X1 · UniProt Q9I4X2
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