3SOC

Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with a quinazolin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Activin receptor type-2A	polymer	322	36548.8	2	UniProt (P27037) Pfam (PF00069)	Homo sapiens (human)	Activin receptor type IIA, ACTR-IIA, ACTRIIA
2	C, J (A, B)	[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE	non-polymer		381.4	2	Chemie (GVD)
3	D, E, F, G, H... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	11	Chemie (EDO)
4	P, Q (A, B)	water	water		18.0	540	Chemie (HOH)

Sequence modifications

A, B: 191 - 488 (UniProt: P27037)

PDB	External Database	Details
Met -23	-	expression tag
Gly -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
Ser -15	-	expression tag
Ser -14	-	expression tag
Gly -13	-	expression tag
Val -12	-	expression tag
Asp -11	-	expression tag
Leu -10	-	expression tag
Gly -9	-	expression tag
Thr -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Ser -1	-	expression tag
Met 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	73097.5
Non-Polymers*	Number of molecules	13
	Total formula weight	1445.6
All*	Total formula weight	74543.1

*Water molecules are not included.