UniProt Q52675
Dimethyl sulfoxide/trimethylamine N-oxide reductase (Q52675)
Dimethyl sulfoxide/trimethylamine N-oxide reductase (UniProt Q52675), EC 1.7.2.3, 1.8.5.3: 18 experimental structures and 1 predicted model on GenesisL1, 8 ligands bound, 178 pockets. Binding sites, druggability and experiment…
- UniProt
- Q52675
- Protein
- Dimethyl sulfoxide/trimethylamine N-oxide reductase
- EC
- 1.7.2.3, 1.8.5.3
- Experimental structures
- 18
- Predicted models
- 1
- Ligands
- 8
- Pockets
- 178 · 17 records with a druggable one
Structures
19 records of Q52675 in the MolNFT archive: 18 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1DMR | Oxidized dmso reductase from rhodobacter capsulatus | x-ray diffraction | A | PGD, 6MO, O | 6 (best 0.87) |
| 1DMR | Oxidized dmso reductase from rhodobacter capsulatus | x-ray diffraction | A | PGD, 6MO, O | 6 (best 0.87) |
| 1E18 | Tungsten-susbstituted dmso reductase from rhodobacter capsulatus | x-ray diffraction | A | PGD, 6WO | 7 (best 0.88) |
| 1E18 | Tungsten-susbstituted dmso reductase from rhodobacter capsulatus | x-ray diffraction | A | PGD, 6WO | 7 (best 0.88) |
| 1E5V | Oxidized dmso reductase exposed to hepes buffer | x-ray diffraction | A, C | PGD, 2MO, SO4 | 14 (best 0.87) |
| 1E5V | Oxidized dmso reductase exposed to hepes buffer | x-ray diffraction | A, C | PGD, 2MO, SO4 | 14 (best 0.87) |
| 1E60 | OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES - Structure II BUFFER | x-ray diffraction | A, C | PGD, 2MO, SO4 | 16 (best 0.84) |
| 1E60 | Oxidized dmso reductase exposed to hepes - structure II buffer | x-ray diffraction | A, C | PGD, 2MO, SO4 | 16 (best 0.84) |
| 1E61 | OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES - Structure II BUFFER | x-ray diffraction | A, C | PGD, 2MO, SO4 | 14 (best 0.88) |
| 1E61 | Oxidized dmso reductase exposed to hepes - structure II buffer | x-ray diffraction | A, C | PGD, 2MO, SO4 | 14 (best 0.88) |
| 1H5N | Dmso reductase modified by the presence of dms and air | x-ray diffraction | A, C | PGD, 6MO, SO4 | 13 (best 0.87) |
| 1H5N | Dmso reductase modified by the presence of dms and air | x-ray diffraction | A, C | PGD, 6MO, SO4 | 13 (best 0.87) |
| 2DMR | Dithionite reduced dmso reductase from rhodobacter capsulatus | x-ray diffraction | A | — | — |
| 2DMR | Dithionite reduced dmso reductase from rhodobacter capsulatus | x-ray diffraction | A | PGD, 4MO, O, SO2 | 8 (best 0.84) |
| 3DMR | Structure of dmso reductase from rhodobacter capsulatus at pH 7.0 | x-ray diffraction | A | PGD, 6MO, O | 7 (best 0.84) |
| 3DMR | Structure of dmso reductase from rhodobacter capsulatus at pH 7.0 | x-ray diffraction | A | PGD, 6MO, O | 7 (best 0.84) |
| 4DMR | Reduced dmso reductase from rhodobacter capsulatus with bound dmso substrate | x-ray diffraction | A | PGD, 4MO, O | 8 (best 0.84) |
| 4DMR | Reduced dmso reductase from rhodobacter capsulatus with bound dmso substrate | x-ray diffraction | A | PGD, 4MO, O | 8 (best 0.84) |
| Q52675 | AlphaFold monomer V2.0 prediction for dimethyl SULFOXIDE/TRIMETHYLAMINE N-oxide reductase (Q52675) | predicted | A | — | — |
Ligands
- PGD · 2-amino-5,6-dimercapto-7-methyl-3,7,8A,9-tetrahydro-8-oxa-1,3,9,10-tetraaza-anthracen-4-one guanosine dinucleotide · in 17 records
- SO4 · Sulfate ion · in 8 records
- O · Oxygen atom · in 7 records
- 2MO · Molybdenum (iv)oxide · in 6 records
- 6MO · Molybdenum(vi) ion · in 6 records
- 4MO · Molybdenum(iv) ion · in 3 records
- 6WO · Oxo-tungsten(vi) · in 2 records
- SO2 · Sulfur dioxide · in 1 record
Experiment against prediction
- 1H5N chain A against the predicted model Q52675: TM-score 1.00, RMSD 0.44 Å
- 1H5N chain A against the predicted model Q52675: TM-score 1.00, RMSD 0.44 Å
- 1E5V chain C against the predicted model Q52675: TM-score 1.00, RMSD 0.48 Å
- 1E5V chain C against the predicted model Q52675: TM-score 1.00, RMSD 0.48 Å
- 1E5V chain A against the predicted model Q52675: TM-score 1.00, RMSD 0.48 Å
- 1E5V chain A against the predicted model Q52675: TM-score 1.00, RMSD 0.48 Å
- 1H5N chain C against the predicted model Q52675: TM-score 1.00, RMSD 0.50 Å
- 1H5N chain C against the predicted model Q52675: TM-score 1.00, RMSD 0.50 Å
- 1E61 chain A against the predicted model Q52675: TM-score 1.00, RMSD 0.63 Å
- 1E61 chain A against the predicted model Q52675: TM-score 1.00, RMSD 0.63 Å
Elsewhere
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