(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(4R,8S)-8-methyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide
P0DTD1 — Replicase polyprotein 1ab
ECOD Domain Annotations
ECOD domains from AlphaFold model interacting with ligand QXI
| UniProt | DrugBank | PDB Ligand | Domain Label | ECOD ID | X Group | H Group | T Group | F Group |
|---|---|---|---|---|---|---|---|---|
| No predicted ECOD data found | ||||||||
ECOD domains from experimental PDB structures interacting with ligand QXI
| UniProt | DrugBank | PDB ID | Ligand Acc. | Chain | Res No. | Exp. Domain | X Group | H Group | T Group | F Group |
|---|---|---|---|---|---|---|---|---|---|---|
| P0DTD1 | n/a | 7gkj | QXI | A | 408 | e7gkjA1 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | Peptidase_C30 |
| P0DTD1 | n/a | 7gkj | QXI | A | 408 | e7gkjA2 | cradle loop barrel | RIFT-related | FMN-binding split barrel | Peptidase_C30 |
| P0DTD1 | n/a | 7gkj | QXI | A | 408 | e7gkjB1 | cradle loop barrel | RIFT-related | FMN-binding split barrel | Peptidase_C30 |
| P0DTD1 | n/a | 7gkj | QXI | B | 403 | e7gkjA2 | cradle loop barrel | RIFT-related | FMN-binding split barrel | Peptidase_C30 |
| P0DTD1 | n/a | 7gkj | QXI | B | 403 | e7gkjB1 | cradle loop barrel | RIFT-related | FMN-binding split barrel | Peptidase_C30 |
| P0DTD1 | n/a | 7gkj | QXI | B | 403 | e7gkjB2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | Peptidase_C30 |