8F4Y

Crystal Structure of SARS-CoV-2 2'-O-Methyltransferase in Complex with Compound 5a covalently bound to nsp16 and nsp10

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	2'-O-methyltransferase	polymer	301	33627.5	1	UniProt (P0DTD1) Pfam (PF06460)	Severe acute respiratory syndrome coronavirus 2	Non-structural protein 16, nsp16
2	B (B)	Non-structural protein 10	polymer	142	15075.2	1	UniProt (P0DTD1) Pfam (PF09401)	Severe acute respiratory syndrome coronavirus 2	nsp10, Growth factor-like peptide, GFL
3	C, Q (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
4	D (A)	4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol	non-polymer		335.1	1	Chemie (XDU)
5	E, R, S (A, B)	4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol	non-polymer		337.1	3	Chemie (XE0)
6	F, G, H, I, J... (A, B)	FORMIC ACID	non-polymer		46.0	10	Chemie (FMT)
7	O, P (B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
8	U, V (A, B)	water	water		18.0	312	Chemie (HOH)

Sequence modifications

A: 6799 - 7096 (UniProt: P0DTD1)

PDB	External Database	Details
Ser 6796	-	expression tag
Asn 6797	-	expression tag
Ala 6798	-	expression tag

B: 4254 - 4392 (UniProt: P0DTD1)

PDB	External Database	Details
Ser 4251	-	expression tag
Asn 4252	-	expression tag
Ala 4253	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	48702.7
Non-Polymers*	Number of molecules	18
	Total formula weight	1983.5
All*	Total formula weight	50686.2

*Water molecules are not included.