(4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-oxidanyl-4-phosphono-butanoic acid

Q8NRC3 — 2-oxoglutarate dehydrogenase E1/E2 component

ECOD Domain Annotations

ECOD domains from AlphaFold model interacting with ligand QSP

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 QSP

UniProt	DrugBank	PDB ID	Ligand Acc.	Chain	Res No.	Exp. Domain	X Group	H Group	T Group	F Group
Q8NRC3	n/a	8p5w	QSP	A	1303	e8p5wA2	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	E1_dh
Q8NRC3	n/a	8p5w	QSP	A	1303	e8p5wB2	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	Transket_pyr
Q8NRC3	n/a	8p5w	QSP	B	1303	e8p5wA1	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	Transket_pyr
Q8NRC3	n/a	8p5w	QSP	B	1303	e8p5wA2	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	E1_dh
Q8NRC3	n/a	8p5w	QSP	B	1303	e8p5wB1	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	E1_dh
Q8NRC3	n/a	8p5w	QSP	C	1303	e8p5wC1	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	E1_dh
Q8NRC3	n/a	8p5w	QSP	C	1303	e8p5wD2	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	Transket_pyr
Q8NRC3	n/a	8p5w	QSP	D	1303	e8p5wC3	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	Transket_pyr
Q8NRC3	n/a	8p5w	QSP	D	1303	e8p5wD4	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	E1_dh
Q8NRC3	n/a	8p5w	QSP	E	1303	e8p5wE2	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	E1_dh
Q8NRC3	n/a	8p5w	QSP	E	1303	e8p5wE4	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	Transket_pyr
Q8NRC3	n/a	8p5w	QSP	E	1303	e8p5wF4	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	Transket_pyr
Q8NRC3	n/a	8p5w	QSP	F	1303	e8p5wE2	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	E1_dh
Q8NRC3	n/a	8p5w	QSP	F	1303	e8p5wE4	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	Transket_pyr
Q8NRC3	n/a	8p5w	QSP	F	1303	e8p5wF2	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	Thiamin diphosphate-binding fold (THDP-binding)	E1_dh