UniProt Q00456
Toluene-4-monooxygenase system protein A (Q00456)
Toluene-4-monooxygenase system protein A (UniProt Q00456), EC 1.14.13.-: 16 experimental structures and 1 predicted model on GenesisL1, 6 ligands bound, 69 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q00456
- Protein
- Toluene-4-monooxygenase system protein A
- EC
- 1.14.13.-
- Experimental structures
- 16
- Predicted models
- 1
- Ligands
- 6
- Pockets
- 69 · 5 records with a druggable one
Structures
17 records of Q00456 in the MolNFT archive: 16 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3RI7 | Toluene 4 monooxygenase HD Mutant G103L | x-ray diffraction | A | — | — |
| 3RI7 | Toluene 4 monooxygenase hd mutant G103L | x-ray diffraction | A | — | — |
| 3RMK | Toluene 4 monooxygenase H with 4-bromophenol | x-ray diffraction | A, D | — | — |
| 3RMK | Toluene 4 monooxygenase H with 4-bromophenol | x-ray diffraction | A, D | — | — |
| 4P1B | Crystal structure of the toluene 4-monooxygenase hydroxylase-ferredoxin C7S E16C C84A C85A variant… | x-ray diffraction | A, D | — | — |
| 4P1B | Crystal structure of the toluene 4-monooxygenase hydroxylase- ferredoxin C7S E16C C84A C85A variant… | x-ray diffraction | A, D | — | — |
| 4P1C | Crystal structure of the toluene 4-monooxygenase hydroxylase-ferredoxin C7S, C84A, C85A variant… | x-ray diffraction | A, D | — | — |
| 4P1C | Crystal structure of the toluene 4-monooxygenase hydroxylase- ferredoxin C7S, C84A, C85A variant… | x-ray diffraction | A, D | — | — |
| 5TDS | Toluene bound in the resting active site of toluene 4-monooxygenase (T4moH) | x-ray diffraction | A, D | FE, MG, MBN, CL | 17 (best 0.82) |
| 5TDS | Toluene bound in the resting active site of toluene 4-monooxygenase (T4MOH) | x-ray diffraction | A, D | FE, MBN, MG, CL | — |
| 5TDT | Oxygenated toluene intermediate in toluene 4-monooxygenase (T4moHD) after reaction in the crystal | x-ray diffraction | A, D | PER, MBN, FE | 18 (best 0.88) |
| 5TDT | Oxygenated toluene intermediate in toluene 4-monooxygenase (T4MOHD) after reaction in the crystal | x-ray diffraction | A, D | PER, MBN, FE | — |
| 5TDU | Toluene 4-monooxygenase (T4moHD) bound to product after turnover in crystal | x-ray diffraction | A | FE, PCR | 8 (best 0.69) |
| 5TDU | Toluene 4-monooxygenase (T4MOHD) bound to product after turnover in crystal | x-ray diffraction | A | FE, PCR | — |
| 5TDV | Intermediate O2 diiron complex in the Q228A variant of Toluene 4-moonoxygenase (T4moHD) | x-ray diffraction | A, D | PER, FE | 19 (best 0.87) |
| 5TDV | Intermediate O2 diiron complex in the Q228A variant of toluene 4- moonoxygenase (T4MOHD) | x-ray diffraction | A, D | PER, FE | — |
| Q00456 | AlphaFold monomer V2.0 prediction for toluene-4-monooxygenase system, hydroxylase component subunit… | predicted | A | — | 7 (best 0.57) |
Ligands
Experiment against prediction
- 5TDV chain A against the predicted model Q00456: TM-score 1.00, RMSD 0.48 Å
- 5TDV chain A against the predicted model Q00456: TM-score 1.00, RMSD 0.48 Å
- 5TDU chain A against the predicted model Q00456: TM-score 1.00, RMSD 0.48 Å
- 5TDU chain A against the predicted model Q00456: TM-score 1.00, RMSD 0.48 Å
- 3RI7 chain A against the predicted model Q00456: TM-score 1.00, RMSD 0.48 Å
- 3RI7 chain A against the predicted model Q00456: TM-score 1.00, RMSD 0.48 Å
- 5TDV chain D against the predicted model Q00456: TM-score 1.00, RMSD 0.49 Å
- 5TDT chain A against the predicted model Q00456: TM-score 1.00, RMSD 0.50 Å
- 5TDT chain A against the predicted model Q00456: TM-score 1.00, RMSD 0.50 Å
- 5TDT chain D against the predicted model Q00456: TM-score 1.00, RMSD 0.51 Å
Elsewhere
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