7R1T

Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the SS148 inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	2'-O-methyltransferase nsp16	polymer	299	33486.4	1	UniProt (P0DTD1) Pfam (PF06460) In PDB	Severe acute respiratory syndrome coronavirus 2	Non-structural protein 16,nsp16
2	B	Non-structural protein 10	polymer	123	13126.1	1	UniProt (P0DTD1) Pfam (PF09401) In PDB	Severe acute respiratory syndrome coronavirus 2	nsp10,Growth factor-like peptide,GFL
3	A	(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid	non-polymer		408.4	1	Chemie (6NR)
4	A	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
5	A	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	1	Chemie (MES)
6	B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
7		water	water		18.0	26	Chemie (HOH)

Sequence modifications

A: 1 - 298 (UniProt: P0DTD1)

PDB	External Database	Details
Met 0	-	initiating methionine

B: 10 - 131 (UniProt: P0DTD1)

PDB	External Database	Details
Met 9	-	initiating methionine

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	46612.5
Non-Polymers*	Number of molecules	6
	Total formula weight	924.4
All*	Total formula weight	47536.9

*Water molecules are not included.