UniProt Q9I4X0
Multiple virulence factor regulator MvfR (Q9I4X0)
Multiple virulence factor regulator MvfR (UniProt Q9I4X0): 16 experimental structures and 1 predicted model on GenesisL1, 12 ligands bound, 27 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- Q9I4X0
- Protein
- Multiple virulence factor regulator MvfR
- Experimental structures
- 16
- Predicted models
- 1
- Ligands
- 12
- Pockets
- 27 · 10 records with a druggable one
Structures
17 records of Q9I4X0 in the MolNFT archive: 16 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 6Q7U | Crystal structure of PqsR (MvfR) ligand-binding domain in complex with HHQ | x-ray diffraction | A | HLH | 1 (best 0.68) |
| 6Q7U | Crystal structure of pqsr (mvfr) ligand-binding domain in complex with hhq | x-ray diffraction | A | HLH | — |
| 6Q7V | Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 11 | x-ray diffraction | A, B | HLK | 2 (best 0.84) |
| 6Q7V | Crystal structure of pqsr (mvfr) ligand-binding domain in complex with compound 11 | x-ray diffraction | A, B | HLK | — |
| 6Q7W | Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 20 | x-ray diffraction | A | HLQ | 1 (best 0.65) |
| 6Q7W | Crystal structure of pqsr (mvfr) ligand-binding domain in complex with compound 20 | x-ray diffraction | A | HLQ | — |
| 6YIZ | Crystal structure of PqsR (MvfR) ligand-binding domain in complex with triazolo-pyridine inverse… | x-ray diffraction | A, B | OT2, OT8, MG | 2 (best 0.85) |
| 6YIZ | Crystal structure of pqsr (mvfr) ligand-binding domain in complex with triazolo-pyridine inverse… | x-ray diffraction | A, B | OT2, OT8, MG | — |
| 7NBW | Crystal structure of PqsR (MvfR) ligand-binding domain in complex with a pyridin agonist | x-ray diffraction | A | U7Q | 3 (best 0.67) |
| 7NBW | Crystal structure of pqsr (mvfr) ligand-binding domain in complex with a pyridin agonist | x-ray diffraction | A | U7Q | — |
| 7P4U | Crystal structure of PqsR (MvfR) ligand-binding domain in complex with… | x-ray diffraction | A | 5N9 | — |
| 7P4U | Crystal structure of pqsr (mvfr) ligand-binding domain in complex with… | x-ray diffraction | A | 5N9 | — |
| 7QA0 | Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 1456 | x-ray diffraction | A, B | 9ZL | 4 (best 0.85) |
| 7QA3 | Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound… | x-ray diffraction | A, B | A0F | 3 (best 0.85) |
| 7QAV | Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound… | x-ray diffraction | A, B | XBH | 6 (best 0.85) |
| 8Q5K | PqsR coinducer binding domain of Pseudomonas aeruginosa with ligand 2t… | x-ray diffraction | A | JTI | 2 (best 0.68) |
| Q9I4X0 | AlphaFold monomer V2.0 prediction for multiple virulence factor regulator mvfr (Q9I4X0) | predicted | A | — | 3 (best 0.52) |
Ligands
- 5N9 · ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl) pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine · in 2 records
- HLH · 2-heptyl-1~{H}-quinolin-4-one · in 2 records
- HLK · ~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl) pyridine-2,4-diamine · in 2 records
- HLQ · ~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl) pyridine-2,4-diamine · in 2 records
- MG · Magnesium ion · in 2 records
- OT2 · 7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl) hydrazinyl]-8~{H}-naphthalene-1,3-disulfonic acid · in 2 records
- OT8 · ~{N}-[[1-(4-phenoxyphenyl)-1,2,3-triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine · in 2 records
- U7Q · ~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine · in 2 records
- 9ZL · ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine · in 1 record
- A0F · N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine · in 1 record
- JTI · 2-[4-[(2~{S})-3-[[6-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile · in 1 record
- XBH · ~{N}-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine · in 1 record
Experiment against prediction
- 7P4U chain A against the predicted model Q9I4X0: TM-score 0.90, RMSD 1.87 Å
- 7P4U chain A against the predicted model Q9I4X0: TM-score 0.90, RMSD 1.87 Å
- 7NBW chain A against the predicted model Q9I4X0: TM-score 0.89, RMSD 2.01 Å
- 7NBW chain A against the predicted model Q9I4X0: TM-score 0.89, RMSD 2.01 Å
- 7QA0 chain B against the predicted model Q9I4X0: TM-score 0.87, RMSD 2.12 Å
- 7QA3 chain B against the predicted model Q9I4X0: TM-score 0.87, RMSD 2.27 Å
- 8Q5K chain A against the predicted model Q9I4X0: TM-score 0.87, RMSD 2.22 Å
- 7QAV chain B against the predicted model Q9I4X0: TM-score 0.86, RMSD 2.28 Å
- 6Q7U chain A against the predicted model Q9I4X0: TM-score 0.86, RMSD 2.34 Å
- 6Q7U chain A against the predicted model Q9I4X0: TM-score 0.86, RMSD 2.34 Å
Elsewhere
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