UniProt Q9I194
Acyl-homoserine lactone acylase PvdQ (Q9I194)
Acyl-homoserine lactone acylase PvdQ (UniProt Q9I194), EC 3.5.1.97: 37 experimental structures and 1 predicted model on GenesisL1, 14 ligands bound, 126 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q9I194
- Protein
- Acyl-homoserine lactone acylase PvdQ
- EC
- 3.5.1.97
- Experimental structures
- 37
- Predicted models
- 1
- Ligands
- 14
- Pockets
- 126 · 19 records with a druggable one
Structures
38 records of Q9I194 in the MolNFT archive: 37 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2WYB | The quorum quenching N-acyl homoserine lactone acylase PvdQ with a covalently bound dodecanoic acid | x-ray diffraction | A, B | DAO | 7 (best 0.78) |
| 2WYB | The quorum quenching N-acyl homoserine lactone acylase pvdq with a covalently bound dodecanoic acid | x-ray diffraction | A, B | — | — |
| 2WYC | The quorum quenching N-acyl homoserine lactone acylase PvdQ in complex with 3-oxo-lauric acid | x-ray diffraction | A, B | 3LA | 7 (best 0.77) |
| 2WYC | The quorum quenching N-acyl homoserine lactone acylase pvdq in complex with 3-oxo-lauric acid | x-ray diffraction | A, B | — | — |
| 2WYD | The quorum quenching N-acyl homoserine lactone acylase PvdQ in complex with dodecanoic acid | x-ray diffraction | A, B | DAO | 5 (best 0.76) |
| 2WYD | The quorum quenching N-acyl homoserine lactone acylase pvdq in complex with dodecanoic acid | x-ray diffraction | A, B | — | — |
| 2WYE | The quorum quenching N-acyl homoserine lactone acylase PvdQ is an Ntn- Hydrolase with an unusual… | x-ray diffraction | A, B | — | 6 (best 0.74) |
| 2WYE | The quorum quenching N-acyl homoserine lactone acylase pvdq is an ntn-hydrolase with an unusual… | x-ray diffraction | A, B | — | — |
| 3L91 | Structure of Pseudomonas aerugionsa PvdQ bound to octanoate | x-ray diffraction | A, B | OCA | 6 (best 0.72) |
| 3L91 | Structure of pseudomonas aerugionsa pvdq bound to octanoate | x-ray diffraction | A, B | — | — |
| 3L94 | Structure of PvdQ covalently acylated with myristate | x-ray diffraction | A, B | MYR | 8 (best 0.73) |
| 3L94 | Structure of pvdq covalently acylated with myristate | x-ray diffraction | A, B | — | — |
| 3SRA | Structure of Pseudomonas aerugionsa PvdQ covalently acylated with myristic acid from PVDIq | x-ray diffraction | A, B | MYR | 5 (best 0.79) |
| 3SRA | Structure of pseudomonas aerugionsa pvdq covalently acylated with myristic acid from pvdiq | x-ray diffraction | A, B | — | — |
| 3SRB | Structure of Pseudomonas aeruginosa PvdQ bound to SMER28 | x-ray diffraction | A, B | SO4, 28S | 7 (best 0.76) |
| 3SRB | Structure of pseudomonas aeruginosa pvdq bound to SMER28 | x-ray diffraction | A, B | — | — |
| 3SRC | Structure of Pseudomonas aeruginosa PvdQ bound to NS2028 | x-ray diffraction | A, B | 28N | 7 (best 0.78) |
| 3SRC | Structure of pseudomonas aeruginosa pvdq bound to NS2028 | x-ray diffraction | A, B | — | — |
| 4BTH | The LeuA146Trp,PheB24Tyr Double Mutant of the Quorum Quenching N-acyl Homoserine Lactone Acylase… | x-ray diffraction | A, B | — | 5 (best 0.71) |
| 4BTH | The LEUA146TRP,PHEB24TYR double mutant of the quorum quenching N-acyl homoserine lactone acylase… | x-ray diffraction | A, B | — | — |
| 4K2F | Structure of Pseudomonas aeruginosa PvdQ bound to BRD-A08522488 | x-ray diffraction | A, B | A08 | 5 (best 0.78) |
| 4K2F | Structure of pseudomonas aeruginosa pvdq bound to brd-A08522488 | x-ray diffraction | A, B | — | — |
| 4K2G | Structure of Pseudomonas aeruginosa PvdQ bound to BRD-A33442372 | x-ray diffraction | A, B | 1OQ | 5 (best 0.78) |
| 4K2G | Structure of pseudomonas aeruginosa pvdq bound to brd-A33442372 | x-ray diffraction | A, B | — | — |
| 4M1J | Crystal structure of Pseudomonas aeruginosa PvdQ in complex with a transition state analogue | x-ray diffraction | C, A | B0S | 8 (best 0.80) |
| 4M1J | Crystal structure of pseudomonas aeruginosa pvdq in complex with a transition state analogue | x-ray diffraction | C, A | — | — |
| 4WKS | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching… | x-ray diffraction | C, A | 3QD | 8 (best 0.79) |
| 4WKS | N-alkylboronic acid inhibitors reveal determinants of ligand specificity in the quorum-quenching… | x-ray diffraction | C, A | — | — |
| 4WKT | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching… | x-ray diffraction | C, A | BUB | 9 (best 0.80) |
| 4WKT | N-alkylboronic acid inhibitors reveal determinants of ligand specificity in the quorum-quenching… | x-ray diffraction | C, A | — | — |
| 4WKU | N-alkylboronic acid inhibitors reveal determinants of ligand specificity in the quorum-quenching… | x-ray diffraction | A, B | — | — |
| 4WKV | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching… | x-ray diffraction | C, A | 3QK | 9 (best 0.75) |
| 4WKV | N-alkylboronic acid inhibitors reveal determinants of ligand specificity in the quorum-quenching… | x-ray diffraction | C, A | — | — |
| 5UBK | Inactive S1A/N269D-cpPvdQ mutant in complex with the pyoverdine precursor PVDIq reveals a specific… | x-ray diffraction | A | 83M | 6 (best 0.72) |
| 5UBK | Inactive S1A/N269D-cppvdq mutant in complex with the pyoverdine precursor pvdiq reveals a specific… | x-ray diffraction | A | 83M | — |
| 5UBL | A circularly permuted version of PvdQ (cpPvdQ) | x-ray diffraction | A | — | 7 (best 0.79) |
| 5UBL | A circularly permuted version of pvdq (cppvdq) | x-ray diffraction | A | — | — |
| Q9I194 | AlphaFold monomer V2.0 prediction for acyl-homoserine lactone acylase pvdq (Q9I194) | predicted | A | — | 6 (best 0.76) |
Ligands
- 83M · N-[(1R)-1-{(6S)-6-[(2-amino-2-oxoethyl)carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl}-2-(4-hydroxyphenyl)ethyl]-N~2~-tetradecanoyl-L-glutamine · in 2 records
- DAO · Lauric acid · in 2 records
- MYR · Myristic acid · in 2 records
- 1OQ · (2S)-(4-fluorophenyl)[6-(trifluoromethyl)pyridin-2-yl]ethanenitrile · in 1 record
- 28N · 8-bromo-4H-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one · in 1 record
- 28S · 6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine · in 1 record
- 3LA · 3-oxododecanoic acid · in 1 record
- 3QD · ethylboronic acid · in 1 record
- 3QK · trihydroxy(octyl)borate(1-) · in 1 record
- A08 · (2S)-(4-chlorophenyl)(6-chloropyridin-2-yl)ethanenitrile · in 1 record
- B0S · tridecylboronic acid · in 1 record
- BUB · 1-butane boronic acid · in 1 record
- OCA · Octanoic acid (caprylic acid) · in 1 record
- SO4 · Sulfate ion · in 1 record
Experiment against prediction
- 3SRA chain B against the predicted model Q9I194: TM-score 0.99, RMSD 0.66 Å
- 3SRA chain B against the predicted model Q9I194: TM-score 0.99, RMSD 0.66 Å
- 2WYB chain B against the predicted model Q9I194: TM-score 0.99, RMSD 0.67 Å
- 2WYB chain B against the predicted model Q9I194: TM-score 0.99, RMSD 0.67 Å
- 3SRB chain B against the predicted model Q9I194: TM-score 0.99, RMSD 0.68 Å
- 3SRB chain B against the predicted model Q9I194: TM-score 0.99, RMSD 0.68 Å
- 4BTH chain B against the predicted model Q9I194: TM-score 0.99, RMSD 0.68 Å
- 4BTH chain B against the predicted model Q9I194: TM-score 0.99, RMSD 0.68 Å
- 3SRC chain B against the predicted model Q9I194: TM-score 0.99, RMSD 0.71 Å
- 3SRC chain B against the predicted model Q9I194: TM-score 0.99, RMSD 0.71 Å
Elsewhere
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