6S77

Crystal structure of CARM1 N265Y mutant in complex with inhibitor AA183

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Histone-arginine methyltransferase CARM1	polymer	351	40072.6	4	UniProt (Q86X55) Pfam (PF06325) Pfam (PF22528)	Homo sapiens (Human)	Coactivator-associated arginine methyltransferase 1,Protein arginine N-methyltransferase 4
2	E, F, G, H (A, B, C, D)	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid	non-polymer		501.5	4	Chemie (KXW)
3	I, J, K, L (A, B, C, D)	water	water		18.0	455	Chemie (HOH)

Sequence modifications

A, B, C, D: 135 - 479 (UniProt: Q86X55)

PDB	External Database	Details
Tyr 265	Asn 265	engineered mutation
His 480	-	expression tag
His 481	-	expression tag
His 482	-	expression tag
His 483	-	expression tag
His 484	-	expression tag
His 485	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	160290.2
Non-Polymers*	Number of molecules	4
	Total formula weight	2006.2
All*	Total formula weight	162296.4

*Water molecules are not included.