UniProt Q46N53
Sulfopropanediol 3-dehydrogenase (Q46N53)
Sulfopropanediol 3-dehydrogenase (UniProt Q46N53), EC 1.1.1.308: 6 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 32 pockets. Binding sites, druggability and experiment against prediction (TM-score)…
- UniProt
- Q46N53
- Protein
- Sulfopropanediol 3-dehydrogenase
- EC
- 1.1.1.308
- Experimental structures
- 6
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 32 · 6 records with a druggable one
Structures
7 records of Q46N53 in the MolNFT archive: 6 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 8V35 | Crystal structure of HpsN from Cupriavidus pinatubonensis | x-ray diffraction | A, B | ZN | 3 (best 0.81) |
| 8V36 | Crystal structure of DHPS-3-dehydrogenase, HpsN from Cupriavidus pinatubonensis in complex with NADH | x-ray diffraction | A, B | ZN, NAI | 4 (best 0.83) |
| 8V37 | Crystal structure of HpsN D352A mutant from Cupriavidus pinatubonensis in complex with NAD+ | x-ray diffraction | A, B | NAD, ZN | 5 (best 0.85) |
| 9CP7 | Crystal structure of DHPS-3-dehydrogenase, HpsN from Cupriavidus pinatubonensis in complex with… | x-ray diffraction | A, B | ZN, NAI, OCS | 6 (best 0.85) |
| 9CP8 | Crystal structure of DHPS-3-dehydrogenase, HpsN from Cupriavidus pinatubonensis in complex with… | x-ray diffraction | A, B | ZN, NAI, 3SL | 8 (best 0.85) |
| 9CP9 | Crystal structure of DHPS-3-dehydrogenase, HpsN H319A variant from Cupriavidus pinatubonensis in… | x-ray diffraction | A, B | ZN, NAI, A1AZH, SO4 | 6 (best 0.85) |
| Q46N53 | AlphaFold monomer V2.0 prediction for sulfopropanediol 3-dehydrogenase (Q46N53) | predicted | A | — | — |
Ligands
- ZN · Zinc ion · in 6 records
- NAI · 1,4-dihydronicotinamide adenine dinucleotide · in 4 records
- 3SL · (2R)-3-sulfolactic acid · in 1 record
- A1AZH · (2R)-2,3-dihydroxypropane-1-sulfonic acid · in 1 record
- NAD · Nicotinamide-adenine-dinucleotide · in 1 record
- OCS · Cysteinesulfonic acid · in 1 record
- SO4 · Sulfate ion · in 1 record
Experiment against prediction
- 9CP7 chain B against the predicted model Q46N53: TM-score 0.97, RMSD 1.28 Å
- 9CP7 chain A against the predicted model Q46N53: TM-score 0.97, RMSD 1.30 Å
- 9CP9 chain A against the predicted model Q46N53: TM-score 0.97, RMSD 1.32 Å
- 9CP8 chain B against the predicted model Q46N53: TM-score 0.97, RMSD 1.32 Å
- 9CP8 chain A against the predicted model Q46N53: TM-score 0.97, RMSD 1.32 Å
- 9CP9 chain B against the predicted model Q46N53: TM-score 0.97, RMSD 1.35 Å
- 8V36 chain A against the predicted model Q46N53: TM-score 0.95, RMSD 1.88 Å
- 8V37 chain A against the predicted model Q46N53: TM-score 0.94, RMSD 1.95 Å
- 8V35 chain A against the predicted model Q46N53: TM-score 0.94, RMSD 1.99 Å
- 8V36 chain B against the predicted model Q46N53: TM-score 0.94, RMSD 1.90 Å
Elsewhere
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