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The LeuA146Trp,PheB24Tyr Double Mutant of the Quorum Quenching N-acyl Homoserine Lactone Acylase PvdQ Has an Altered Substrate Specificity Towards Small Acyl Chains
Analyse The LeuA146Trp,PheB24Tyr Double Mutant of the Quorum Quenching N-acyl… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4BTH
- Type
- protein
- Length
- 710 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.9
- Source
- PSEUDOMONAS AERUGINOSA
- Molecule
- Acyl-homoserine lactone acylase pvdq subunit alpha; Acyl-homoserine lactone acylase pvdq…
- EC
- 3.5.1.97
- UniProt
- Q9I194
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · resolution 1.9 · 2 distinct chains · 34% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl-homoserine lactone acylase pvdq subunit alpha (EC 3.5.1.97) | protein | 164 | 61% helix, 9% strand | Q9I194 |
| B | Acyl-homoserine lactone acylase pvdq subunit beta (EC 3.5.1.97) | protein | 546 | 26% helix, 32% strand | Q9I194 |
Ligands and binding sites
- GOL · Glycerol · additive · 5 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 896 | 0.71 | 0.76 | 109 | GOL |
| 2 | 106 | 0.47 | 0.80 | 22 | empty |
| 3 | 133 | 0.41 | 0.75 | 19 | GOL |
| 4 | 67 | 0.32 | 0.75 | 16 | empty |
| 5 | 61 | 0.28 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 4055 Ų buried · 57 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 4BTH · The LEUA146TRP,PHEB24TYR double mutant of the quorum quenching N-acyl homoserine lactone… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9I194 · AlphaFold monomer V2.0 prediction for acyl-homoserine lactone acylase pvdq (Q9I194) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q9I194
- Elsewhere: RCSB PDB 4BTH · PDBe 4BTH · UniProt Q9I194
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