8CEQ

Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO427

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase	polymer	307	35949.5	2	UniProt (A0A0F6N8X1) Pfam (PF01358) UniProt (by SIFTS) (A0A7H0DN74) In PDB	Monkeypox virus
2	A, B	(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-phenylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid	non-polymer		483.5	2	Chemie (UF9)
3		water	water		18.0	37	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	71899.0
Non-Polymers*	Number of molecules	2
	Total formula weight	967.1
All*	Total formula weight	72866.1

*Water molecules are not included.