(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

P0DTD1 — Replicase polyprotein 1ab

ECOD Domain Annotations

ECOD domains from AlphaFold model interacting with ligand KG9

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 KG9

UniProt	DrugBank	PDB ID	Ligand Acc.	Chain	Res No.	Exp. Domain	X Group	H Group	T Group	F Group
P0DTD1	n/a	7gaw	KG9	A	406	e7gawA1	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	7gaw	KG9	A	406	e7gawA2	cradle loop barrel	RIFT-related	FMN-binding split barrel	Peptidase_C30
P0DTD1	n/a	7gaw	KG9	A	406	e7gawB1	cradle loop barrel	RIFT-related	FMN-binding split barrel	Peptidase_C30
P0DTD1	n/a	7gaw	KG9	B	402	e7gawA2	cradle loop barrel	RIFT-related	FMN-binding split barrel	Peptidase_C30
P0DTD1	n/a	7gaw	KG9	B	402	e7gawB1	cradle loop barrel	RIFT-related	FMN-binding split barrel	Peptidase_C30
P0DTD1	n/a	7gaw	KG9	B	402	e7gawB2	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	7gl8	KG9	A	407	e7gl8A1	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	7gl8	KG9	A	407	e7gl8A2	cradle loop barrel	RIFT-related	FMN-binding split barrel	Peptidase_C30
P0DTD1	n/a	7gl8	KG9	A	407	e7gl8B1	cradle loop barrel	RIFT-related	FMN-binding split barrel	Peptidase_C30
P0DTD1	n/a	7gl8	KG9	B	403	e7gl8A2	cradle loop barrel	RIFT-related	FMN-binding split barrel	Peptidase_C30
P0DTD1	n/a	7gl8	KG9	B	403	e7gl8B1	cradle loop barrel	RIFT-related	FMN-binding split barrel	Peptidase_C30
P0DTD1	n/a	7gl8	KG9	B	403	e7gl8B2	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