UniProt P9WHH9
Dihydrolipoyl dehydrogenase (P9WHH9)
Dihydrolipoyl dehydrogenase (UniProt P9WHH9), EC 1.8.1.4: 5 experimental structures and 1 predicted model on GenesisL1, 4 ligands bound, 36 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P9WHH9
- Protein
- Dihydrolipoyl dehydrogenase
- EC
- 1.8.1.4
- Experimental structures
- 5
- Predicted models
- 1
- Ligands
- 4
- Pockets
- 36 · 3 records with a druggable one
Structures
6 records of P9WHH9 in the MolNFT archive: 5 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 7KMY | Structure of Mtb Lpd bound to 010705 | x-ray diffraction | A, B, C, D, I, J, M, N | FAD, WPM | 20 (best 0.84) |
| 7KMY | Structure of mtb lpd bound to 010705 | x-ray diffraction | A, B, C, D, I, J, M, N | FAD, WPM | — |
| 8CT4 | Cryo-EM structure of Mtb Lpd bound to inhibitor complex with… | electron microscopy | A, B | FAD, OU6 | 9 (best 0.82) |
| 8CT4 | Cryo-EM structure of mtb lpd bound to inhibitor complex with 2-((2… | electron microscopy | A, B | FAD, OU6 | — |
| 8U0Q | Co-crystal structure of optimized analog TDI-13537 provided new insights into the potency… | x-ray diffraction | A, B | FAD, U4I | 7 (best 0.81) |
| P9WHH9 | AlphaFold monomer V2.0 prediction for dihydrolipoyl dehydrogenase (P9WHH9) | predicted | A | — | — |
Ligands
- FAD · Flavin-adenine dinucleotide · in 5 records
- OU6 · N~2~-(2-cyano-5-methyl-1H-indole-7-sulfonyl)-N~2~-methyl-N-[4-(oxetan-3-yl)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]glycinamide · in 2 records
- WPM · N~2~-methyl-N~2~-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide · in 2 records
- U4I · N-(3-acetamidophenyl)-N~2~-[3-(difluoromethyl)-5-methylbenzene-1-sulfonyl]-N~2~-methylglycinamide · in 1 record
Experiment against prediction
- 8U0Q chain B against the predicted model P9WHH9: TM-score 1.00, RMSD 0.47 Å
- 7KMY chain C against the predicted model P9WHH9: TM-score 0.99, RMSD 0.50 Å
- 7KMY chain C against the predicted model P9WHH9: TM-score 0.99, RMSD 0.50 Å
- 8U0Q chain A against the predicted model P9WHH9: TM-score 1.00, RMSD 0.50 Å
- 7KMY chain N against the predicted model P9WHH9: TM-score 0.99, RMSD 0.51 Å
- 7KMY chain N against the predicted model P9WHH9: TM-score 0.99, RMSD 0.51 Å
- 7KMY chain M against the predicted model P9WHH9: TM-score 0.99, RMSD 0.51 Å
- 7KMY chain M against the predicted model P9WHH9: TM-score 0.99, RMSD 0.51 Å
- 7KMY chain I against the predicted model P9WHH9: TM-score 0.99, RMSD 0.52 Å
- 7KMY chain I against the predicted model P9WHH9: TM-score 0.99, RMSD 0.52 Å
Elsewhere
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