PDB ligand accession: FAD
DrugBank: DB03147
PubChem:
ChEMBL:
InChI Key: VWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES: Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Nucleosides, nucleotides, and analogues
- Class: Flavin nucleotides
- Subclass: None
- Class: Flavin nucleotides
- Superclass: Nucleosides, nucleotides, and analogues
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 5URI | Download | Experimental | e5uriA2 e5uriA3 e5uriA4 e5uriA3 e5uriA4 e5uriB1 e5uriB3 e5uriB4 | NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel | LigPlot |
| 1AMO | Download | Experimental | e1amoA3 e1amoA4 e1amoA5 e1amoB5 e1amoB3 e1amoA3 e1amoA5 e1amoB4 e1amoB5 | Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain Ferredoxin reductase-like, C-terminal NADP-linked domain cradle loop barrel NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel | LigPlot |
| 3ES9 | Download | Experimental | e3es9A1 e3es9A3 e3es9A4 e3es9B1 e3es9B2 e3es9B3 e3es9C2 e3es9C3 e3es9C4 | NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain | LigPlot |
| 3OJX | Download | Experimental | e3ojxA4 e3ojxA5 e3ojxA2 e3ojxA3 | NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel Flavodoxin-like Ferredoxin reductase-like, C-terminal NADP-linked domain | LigPlot |
| 1JA1 | Download | Experimental | e1ja1A2 e1ja1A3 e1ja1A4 e1ja1A5 e1ja1A3 e1ja1A4 e1ja1B3 e1ja1B4 e1ja1B5 | Flavodoxin-like Ferredoxin reductase-like, C-terminal NADP-linked domain cradle loop barrel NADPH-cytochrome p450 reductase helical insertion domain Ferredoxin reductase-like, C-terminal NADP-linked domain cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel | LigPlot |
| 7L18 | Download | Experimental | e7l18AAA1 e7l18AAA2 e7l18AAA3 e7l18AAA4 e7l18BBB4 e7l18BBB2 e7l18BBB3 e7l18BBB4 | cradle loop barrel NADPH-cytochrome p450 reductase helical insertion domain Flavodoxin-like Ferredoxin reductase-like, C-terminal NADP-linked domain cradle loop barrel NADPH-cytochrome p450 reductase helical insertion domain Ferredoxin reductase-like, C-terminal NADP-linked domain cradle loop barrel | LigPlot |
| 3WKT | Download | Experimental | e3wktA3 e3wktA6 e3wktA7 e3wktB2 e3wktB9 e3wktB10 | NADPH-cytochrome p450 reductase helical insertion domain Ferredoxin reductase-like, C-terminal NADP-linked domain cradle loop barrel NADPH-cytochrome p450 reductase helical insertion domain Ferredoxin reductase-like, C-terminal NADP-linked domain cradle loop barrel | LigPlot |
| 4YAW | Download | Experimental | e4yawA1 e4yawA2 e4yawA4 e4yawB1 e4yawB3 e4yawB4 | NADPH-cytochrome p450 reductase helical insertion domain Ferredoxin reductase-like, C-terminal NADP-linked domain cradle loop barrel NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain | LigPlot |
| 4Y7C | Download | Experimental | e4y7cA1 e4y7cA2 e4y7cA3 e4y7cB1 e4y7cB3 e4y7cB4 | cradle loop barrel NADPH-cytochrome p450 reductase helical insertion domain Ferredoxin reductase-like, C-terminal NADP-linked domain Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel | LigPlot |
| 1J9Z | Download | Experimental | e1j9zA3 e1j9zA4 e1j9zA5 e1j9zB3 e1j9zA3 e1j9zA5 e1j9zB4 e1j9zB5 | Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain Ferredoxin reductase-like, C-terminal NADP-linked domain cradle loop barrel NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel | LigPlot |
| 4Y9U | Download | Experimental | e4y9uA1 e4y9uA3 e4y9uA4 e4y9uB2 e4y9uB3 e4y9uB4 | Ferredoxin reductase-like, C-terminal NADP-linked domain cradle loop barrel NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain | LigPlot |
| 4YAU | Download | Experimental | e4yauA1 e4yauA3 e4yauA4 e4yauB1 e4yauB2 e4yauB4 | Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain | LigPlot |
| 5URD | Download | Experimental | e5urdA1 e5urdA3 e5urdA4 e5urdB1 e5urdB3 e5urdB4 | Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel NADPH-cytochrome p450 reductase helical insertion domain Ferredoxin reductase-like, C-terminal NADP-linked domain cradle loop barrel | LigPlot |
| 3OJW | Download | Experimental | e3ojwA4 e3ojwA5 e3ojwA2 e3ojwA3 | NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel Flavodoxin-like Ferredoxin reductase-like, C-terminal NADP-linked domain | LigPlot |
| 4Y9R | Download | Experimental | e4y9rA1 e4y9rA2 e4y9rA3 e4y9rB1 e4y9rB2 e4y9rB4 | cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel | LigPlot |
| 5URH | Download | Experimental | e5urhA1 e5urhA3 e5urhA4 e5urhB1 e5urhB3 e5urhB4 | cradle loop barrel NADPH-cytochrome p450 reductase helical insertion domain Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain Ferredoxin reductase-like, C-terminal NADP-linked domain cradle loop barrel | LigPlot |
| 5URE | Download | Experimental | e5ureA1 e5ureA2 e5ureA3 e5ureA4 e5ureB1 e5ureB2 e5ureB4 | Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain Flavodoxin-like cradle loop barrel cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain | LigPlot |
| 4YAF | Download | Experimental | e4yafA1 e4yafA2 e4yafA4 e4yafB2 e4yafB3 e4yafB4 | NADPH-cytochrome p450 reductase helical insertion domain Ferredoxin reductase-like, C-terminal NADP-linked domain cradle loop barrel cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain | LigPlot |
| 1JA0 | Download | Experimental | e1ja0A2 e1ja0A3 e1ja0A4 e1ja0A5 e1ja0A3 e1ja0A5 e1ja0B1 e1ja0B2 e1ja0B3 | Flavodoxin-like Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel | LigPlot |
| 4YAL | Download | Experimental | e4yalA1 e4yalA2 e4yalA3 e4yalA4 e4yalB1 e4yalB2 e4yalB4 | cradle loop barrel NADPH-cytochrome p450 reductase helical insertion domain Flavodoxin-like Ferredoxin reductase-like, C-terminal NADP-linked domain cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain | LigPlot |
| 4YAO | Download | Experimental | e4yaoA1 e4yaoA3 e4yaoA4 e4yaoB3 e4yaoB2 e4yaoB3 e4yaoB4 | NADPH-cytochrome p450 reductase helical insertion domain Ferredoxin reductase-like, C-terminal NADP-linked domain cradle loop barrel cradle loop barrel NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain | LigPlot |
| 6NJR | Download | Experimental | e6njrA1 e6njrA3 e6njrA4 e6njrB1 e6njrB3 e6njrB4 | Ferredoxin reductase-like, C-terminal NADP-linked domain cradle loop barrel NADPH-cytochrome p450 reductase helical insertion domain Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel | LigPlot |
| 5URG | Download | Experimental | e5urgA1 e5urgA2 e5urgA4 e5urgB1 e5urgB3 e5urgB4 | cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel | LigPlot |