UniProt Q96HY7
Probable 2-oxoglutarate dehydrogenase E1 component DHKTD1, mitochondrial (Q96HY7)
Probable 2-oxoglutarate dehydrogenase E1 component DHKTD1, mitochondrial (UniProt Q96HY7), EC 1.2.4.2: 13 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 67 pockets. Binding sites, druggability and…
- UniProt
- Q96HY7
- Protein
- Probable 2-oxoglutarate dehydrogenase E1 component DHKTD1, mitochondrial
- EC
- 1.2.4.2
- Experimental structures
- 13
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 67 · 4 records with a druggable one
Structures
14 records of Q96HY7 in the MolNFT archive: 13 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5RVW | PanDDA analysis group deposition -- Crystal Structure of DHTKD1 in complex with Z1587220559 | x-ray diffraction | A, B | TPP, MG, T1J | — |
| 5RVW | Pandda analysis group deposition -- crystal structure of DHTKD1 in complex with Z1587220559 | x-ray diffraction | A, B | TPP, MG, T1J | — |
| 5RVX | PanDDA analysis group deposition -- Crystal Structure of DHTKD1 in complex with Z804566442 | x-ray diffraction | A, B | B0Y, TPP, MG | 18 (best 0.79) |
| 5RVX | Pandda analysis group deposition -- crystal structure of DHTKD1 in complex with Z804566442 | x-ray diffraction | A, B | B0Y, TPP, MG | — |
| 5RVY | PanDDA analysis group deposition -- Crystal Structure of DHTKD1 in complex with Z437516460 | x-ray diffraction | A, B | TPP, MG, NWY | 17 (best 0.79) |
| 5RVY | Pandda analysis group deposition -- crystal structure of DHTKD1 in complex with Z437516460 | x-ray diffraction | A, B | TPP, MG, NWY | — |
| 5RVZ | PanDDA analysis group deposition -- Crystal Structure of DHTKD1 in complex with Z1929757385 | x-ray diffraction | A, B | WGA, TPP, MG | 14 (best 0.79) |
| 5RVZ | Pandda analysis group deposition -- crystal structure of DHTKD1 in complex with Z1929757385 | x-ray diffraction | A, B | WGA, TPP, MG | — |
| 5RW0 | Pandda analysis group deposition -- crystal structure of DHTKD1 in complex with Z2444997446 | x-ray diffraction | A, B | WGD, TPP, MG | — |
| 5RW1 | PanDDA analysis group deposition of ground-state model of DHTKD1 | x-ray diffraction | A, B | TPP, MG | 18 (best 0.79) |
| 5RW1 | Pandda analysis group deposition of ground-state model of DHTKD1 | x-ray diffraction | A, B | TPP, MG | — |
| 6SY1 | Crystal structure of the human 2-oxoadipate dehydrogenase DHTKD1 (E1) | x-ray diffraction | A, B | TPP, MG | — |
| 6U3J | Structure of the 2-oxoadipate dehydrogenase DHTKD1 | x-ray diffraction | A, B | TPP, MG | — |
| Q96HY7 | AlphaFold monomer V2.0 prediction for probable 2-oxoglutarate dehydrogenase E1 component DHKTD1… | predicted | A | — | — |
Ligands
- MG · Magnesium ion · in 13 records
- TPP · Thiamine diphosphate · in 13 records
- B0Y · 5-ethyl-~{N}-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide · in 2 records
- NWY · N-[(6-methylpyridin-3-yl)methyl]cyclobutanecarboxamide · in 2 records
- T1J · 2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol · in 2 records
- WGA · (3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol · in 2 records
- WGD · 1-{(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl) methyl]pyrrolidin-2-yl}methanamine · in 1 record
Experiment against prediction
- 5RW1 chain B against the predicted model Q96HY7: TM-score 1.00, RMSD 0.33 Å
- 5RW1 chain B against the predicted model Q96HY7: TM-score 1.00, RMSD 0.33 Å
- 5RVW chain B against the predicted model Q96HY7: TM-score 1.00, RMSD 0.35 Å
- 5RVW chain B against the predicted model Q96HY7: TM-score 1.00, RMSD 0.35 Å
- 5RW0 chain B against the predicted model Q96HY7: TM-score 1.00, RMSD 0.35 Å
- 5RVY chain B against the predicted model Q96HY7: TM-score 1.00, RMSD 0.35 Å
- 5RVY chain B against the predicted model Q96HY7: TM-score 1.00, RMSD 0.35 Å
- 5RVX chain B against the predicted model Q96HY7: TM-score 1.00, RMSD 0.35 Å
- 5RVX chain B against the predicted model Q96HY7: TM-score 1.00, RMSD 0.35 Å
- 5RVZ chain B against the predicted model Q96HY7: TM-score 1.00, RMSD 0.36 Å
Elsewhere
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