PDB ligand accession: BTI
DrugBank: DB07497
PubChem:
ChEMBL: n/a
InChI Key: ARDNWGMSCXSPBF-CIUDSAMLSA-N
SMILES: C1C2C(C(S1)CCCCC=O)NC(=O)N2
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Biotin and derivatives
- Subclass: None
- Class: Biotin and derivatives
- Superclass: Organoheterocyclic compounds
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 3HO8 | Download | Experimental | e3ho8C1 e3ho8C9 e3ho8C12 e3ho8B1 e3ho8B10 e3ho8B12 | TIM beta/alpha-barrel RuvA-C Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related TIM beta/alpha-barrel RuvA-C Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related | LigPlot |
| 4HNT | Download | Experimental | e4hntA2 e4hntA5 e4hntA6 e4hntB1 e4hntB9 e4hntB12 e4hntD1 e4hntD9 e4hntD12 | RuvA-C Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related TIM beta/alpha-barrel TIM beta/alpha-barrel RuvA-C Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related TIM beta/alpha-barrel RuvA-C Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related | LigPlot |
| 3BG5 | Download | Experimental | e3bg5B3 e3bg5B4 e3bg5B6 e3bg5A3 e3bg5B8 e3bg5A2 e3bg5A5 e3bg5A8 e3bg5C17 e3bg5D1 e3bg5D3 e3bg5D4 e3bg5C12 e3bg5C15 e3bg5D8 | Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related RuvA-C TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid alpha/beta-Hammerhead/Barrel-sandwich hybrid RuvA-C Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related TIM beta/alpha-barrel Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related TIM beta/alpha-barrel Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related RuvA-C TIM beta/alpha-barrel RuvA-C alpha/beta-Hammerhead/Barrel-sandwich hybrid | LigPlot |
| 4HNU | Download | Experimental | e4hnuD1 e4hnuD9 e4hnuD12 | TIM beta/alpha-barrel RuvA-C Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related | LigPlot |
| 4HNV | Download | Experimental | e4hnvA4 e4hnvA5 e4hnvA8 e4hnvB8 e4hnvC12 e4hnvC14 e4hnvD8 e4hnvC17 e4hnvD2 e4hnvD3 e4hnvD4 | Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related TIM beta/alpha-barrel RuvA-C alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel RuvA-C alpha/beta-Hammerhead/Barrel-sandwich hybrid Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related RuvA-C TIM beta/alpha-barrel Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related | LigPlot |
| 3HB9 | Download | Experimental | e3hb9A8 e3hb9B2 e3hb9B5 e3hb9B7 e3hb9A5 e3hb9A7 e3hb9A1 e3hb9B8 e3hb9D18 e3hb9C4 e3hb9C9 e3hb9C11 | alpha/beta-Hammerhead/Barrel-sandwich hybrid Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related RuvA-C TIM beta/alpha-barrel RuvA-C Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related TIM beta/alpha-barrel RuvA-C Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related | LigPlot |
| 3HBL | Download | Experimental | e3hblB2 e3hblB4 e3hblB6 e3hblA6 e3hblB8 e3hblA1 e3hblA3 e3hblA5 e3hblC11 e3hblD4 e3hblD5 e3hblD6 e3hblC4 e3hblC9 e3hblD8 | TIM beta/alpha-barrel Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related RuvA-C alpha/beta-Hammerhead/Barrel-sandwich hybrid alpha/beta-Hammerhead/Barrel-sandwich hybrid RuvA-C Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related TIM beta/alpha-barrel Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related TIM beta/alpha-barrel RuvA-C Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related TIM beta/alpha-barrel RuvA-C alpha/beta-Hammerhead/Barrel-sandwich hybrid | LigPlot |