UniProt P48735
Isocitrate dehydrogenase [NADP], mitochondrial (P48735)
Isocitrate dehydrogenase [NADP], mitochondrial (UniProt P48735), EC 1.1.1.42: 20 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 50 pockets. Binding sites, druggability and experiment against…
- UniProt
- P48735
- Protein
- Isocitrate dehydrogenase [NADP], mitochondrial
- EC
- 1.1.1.42
- Experimental structures
- 20
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 50 · 6 records with a druggable one
Structures
21 records of P48735 in the MolNFT archive: 20 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4JA8 | Complex of Mitochondrial Isocitrate Dehydrogenase R140Q Mutant with AGI-6780 Inhibitor | x-ray diffraction | A, B | — | — |
| 4JA8 | Complex of mitochondrial isocitrate dehydrogenase R140Q mutant with agi-6780 inhibitor | x-ray diffraction | A, B | — | — |
| 5I95 | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to… | x-ray diffraction | A | NDP, CA, AKG | — |
| 5I95 | Crystal structure of human mitochondrial isocitrate dehydrogenase R140Q mutant homodimer bound to… | x-ray diffraction | A | — | — |
| 5I96 | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in… | x-ray diffraction | A, B | CA, NDP, NA, 69Q | 10 (best 0.83) |
| 5I96 | Crystal structure of human mitochondrial isocitrate dehydrogenase (IDH2) R140Q mutant homodimer in… | x-ray diffraction | A, B | — | — |
| 5SVN | Structure of IDH2 mutant R172K | x-ray diffraction | A, B | NDP | 7 (best 0.80) |
| 5SVN | Structure of IDH2 mutant R172K | x-ray diffraction | A, B | NDP | — |
| 5SVO | Structure of IDH2 mutant R140Q | x-ray diffraction | A, B | NAP | 8 (best 0.56) |
| 5SVO | Structure of IDH2 mutant R140Q | x-ray diffraction | A, B | NAP | — |
| 6ADI | Crystal Structures of IDH2 R140Q in complex with AG-881 | x-ray diffraction | A, B | NDP, 9UO | 10 (best 0.82) |
| 6ADI | Crystal structures of IDH2 R140Q in complex with ag-881 | x-ray diffraction | A, B | NDP, 9UO | — |
| 6UJ7 | Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide | x-ray diffraction | C, F | — | — |
| 6UJ7 | Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide | x-ray diffraction | C, F | — | — |
| 6UJ8 | Crystal structure of HLA-B*07:02 with wild-type IDH2 peptide | x-ray diffraction | C, F | — | — |
| 6UJ8 | Crystal structure of HLA-B*07:02 with wild-type IDH2 peptide | x-ray diffraction | C, F | — | — |
| 6UJ9 | Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide in complex with Fab | x-ray diffraction | C | — | — |
| 6UJ9 | Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide in complex with Fab | x-ray diffraction | C | — | — |
| 6VFZ | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in… | x-ray diffraction | A, B | 9UO, NDP, CA, NA | 9 (best 0.82) |
| 6VFZ | Crystal structure of human mitochondrial isocitrate dehydrogenase (IDH2) R140Q mutant homodimer in… | x-ray diffraction | A, B | 9UO, NDP, CA, NA | — |
| P48735 | AlphaFold monomer V2.0 prediction for isocitrate dehydrogenase [NADP], mitochondrial (P48735) | predicted | A | — | 6 (best 0.57) |
Ligands
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · in 8 records
- 9UO · 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine · in 4 records
- CA · Calcium ion · in 4 records
- NA · Sodium ion · in 3 records
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · in 2 records
- 69Q · 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol · in 1 record
- AKG · 2-oxoglutaric acid · in 1 record
Experiment against prediction
- 5I96 chain B against the predicted model P48735: TM-score 0.96, RMSD 1.56 Å
- 5I96 chain B against the predicted model P48735: TM-score 0.96, RMSD 1.56 Å
- 5SVN chain B against the predicted model P48735: TM-score 0.96, RMSD 1.61 Å
- 5SVN chain B against the predicted model P48735: TM-score 0.96, RMSD 1.61 Å
- 5SVN chain A against the predicted model P48735: TM-score 0.96, RMSD 1.62 Å
- 5SVN chain A against the predicted model P48735: TM-score 0.96, RMSD 1.62 Å
- 5I95 chain A against the predicted model P48735: TM-score 0.95, RMSD 1.70 Å
- 5I95 chain A against the predicted model P48735: TM-score 0.95, RMSD 1.70 Å
- 4JA8 chain B against the predicted model P48735: TM-score 0.95, RMSD 1.75 Å
- 4JA8 chain B against the predicted model P48735: TM-score 0.95, RMSD 1.75 Å
Elsewhere
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