UniProt O78747
NADH-ubiquinone oxidoreductase chain 1 (O78747)
NADH-ubiquinone oxidoreductase chain 1 (UniProt O78747), EC 7.1.1.2: 34 experimental structures and 1 predicted model on GenesisL1, 5 ligands bound, 42 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- O78747
- Protein
- NADH-ubiquinone oxidoreductase chain 1
- EC
- 7.1.1.2
- Experimental structures
- 34
- Predicted models
- 1
- Ligands
- 5
- Pockets
- 42 · 9 records with a druggable one
Structures
35 records of O78747 in the MolNFT archive: 34 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5LNK | Entire ovine respiratory complex I | electron microscopy | H | 3PE, PC1, CDL | — |
| 5LNK | Entire ovine respiratory complex I | electron microscopy | H | 3PE, PC1, CDL | — |
| 6ZKA | Membrane domain of open complex I during turnover | electron microscopy | H | DCQ, 3PE, PC1 | — |
| 6ZKB | Membrane domain of closed complex I during turnover | electron microscopy | H | 3PE, PC1 | 4 (best 0.90) |
| 6ZKB | Membrane domain of closed complex I during turnover | electron microscopy | H | 3PE, PC1 | — |
| 6ZKC | Complex I during turnover, closed | electron microscopy | H | PC1, 3PE, DCQ, CDL | 4 (best 0.88) |
| 6ZKC | Complex I during turnover, closed | electron microscopy | H | PC1, 3PE, DCQ | — |
| 6ZKD | Complex I during turnover, OPEN1 | electron microscopy | H | PC1, 3PE, DCQ, CDL | — |
| 6ZKE | Complex I during turnover, OPEN2 | electron microscopy | H | 3PE, PC1, DCQ, CDL | — |
| 6ZKF | Complex I during turnover, open3 | electron microscopy | H | PC1, 3PE, DCQ, CDL | 4 (best 0.90) |
| 6ZKF | Complex I during turnover, OPEN3 | electron microscopy | H | PC1, 3PE, DCQ, CDL | — |
| 6ZKG | Complex I with NADH, closed | electron microscopy | H | PC1, 3PE, CDL | — |
| 6ZKH | Complex I with NADH, open1 | electron microscopy | H | PC1, DCQ, 3PE, CDL | 6 (best 0.90) |
| 6ZKH | Complex I with NADH, OPEN1 | electron microscopy | H | PC1, DCQ, 3PE, CDL | — |
| 6ZKI | Complex I with NADH, OPEN2 | electron microscopy | H | PC1, DCQ, 3PE, CDL | — |
| 6ZKJ | Complex I with NADH, OPEN3 | electron microscopy | H | PC1, DCQ, 3PE, CDL | — |
| 6ZKK | Complex I inhibited by rotenone, closed | electron microscopy | H | PC1, 3PE | — |
| 6ZKL | Complex I inhibited by rote , open1 | electron microscopy | H | 3PE, PC1, 970, CDL | 5 (best 0.90) |
| 6ZKL | Complex I inhibited by rotenone, OPEN1 | electron microscopy | H | 3PE, PC1, 970, CDL | — |
| 6ZKM | Complex I inhibited by rotenone, OPEN2 | electron microscopy | H | 3PE, PC1, 970, CDL | — |
| 6ZKN | Complex I inhibited by rotenone, OPEN3 | electron microscopy | H | 3PE, PC1, 970, CDL | — |
| 6ZKO | Native complex I, closed | electron microscopy | H | PC1, 3PE | — |
| 6ZKP | Native complex I, OPEN1 | electron microscopy | H | PC1, 3PE, CDL | — |
| 6ZKQ | Native complex I, OPEN2 | electron microscopy | H | 3PE, PC1, CDL | — |
| 6ZKR | Native complex I, open3 | electron microscopy | H | PC1, 3PE, CDL | — |
| 6ZKR | Native complex I, OPEN3 | electron microscopy | H | PC1, 3PE, CDL | — |
| 6ZKS | Deactive complex I, OPEN1 | electron microscopy | H | PC1, 3PE, CDL | — |
| 6ZKT | Deactive complex I, open2 | electron microscopy | H | PC1, 3PE, CDL | 5 (best 0.85) |
| 6ZKT | Deactive complex I, OPEN2 | electron microscopy | H | PC1, 3PE | — |
| 6ZKU | Deactive complex I, open3 | electron microscopy | H | 3PE, PC1, CDL | 5 (best 0.88) |
| 6ZKU | Deactive complex I, OPEN3 | electron microscopy | H | 3PE, PC1, CDL | — |
| 6ZKV | Deactive complex I, open4 | electron microscopy | H | PC1, 3PE, CDL | 5 (best 0.85) |
| 6ZKV | Deactive complex I, OPEN4 | electron microscopy | H | PC1, 3PE, CDL | — |
| 7ZDP | Complex I from Ovis aries at pH9, Open state | electron microscopy | H | — | — |
| O78747 | AlphaFold monomer V2.0 prediction for NADH-ubiquinone oxidoreductase chain 1 (O78747) | predicted | A | — | 4 (best 0.78) |
Ligands
- 3PE · 1,2-diacyl-sn-glycero-3-phosphoethanolamine · in 33 records
- PC1 · 1,2-diacyl-sn-glycero-3-phosphocholine · in 33 records
- CDL · Cardiolipin · in 26 records
- DCQ · 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione · in 11 records
- 970 · (2r,6as,12as)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12, 12A-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6ah)-one · in 4 records
Experiment against prediction
- 6ZKM chain H against the predicted model O78747: TM-score 0.99, RMSD 0.81 Å
- 6ZKN chain H against the predicted model O78747: TM-score 0.99, RMSD 0.81 Å
- 6ZKQ chain H against the predicted model O78747: TM-score 0.99, RMSD 0.81 Å
- 6ZKL chain H against the predicted model O78747: TM-score 0.98, RMSD 0.84 Å
- 6ZKL chain H against the predicted model O78747: TM-score 0.98, RMSD 0.84 Å
- 6ZKP chain H against the predicted model O78747: TM-score 0.98, RMSD 0.84 Å
- 6ZKF chain H against the predicted model O78747: TM-score 0.98, RMSD 0.84 Å
- 6ZKF chain H against the predicted model O78747: TM-score 0.98, RMSD 0.84 Å
- 6ZKA chain H against the predicted model O78747: TM-score 0.98, RMSD 0.85 Å
- 6ZKU chain H against the predicted model O78747: TM-score 0.98, RMSD 0.85 Å
Elsewhere
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