9GWO

SARS-CoV-2 methyltransferase nsp10-16 in complex with SAM and theophylline derivative LAS 54571126

This is a non-PDB format compatible entry.

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 nsp16	polymer	304	34150.1	1	UniProt (P0DTD1) Pfam (PF06460)	Severe acute respiratory syndrome coronavirus 2	Non-structural protein 16,nsp16
2	B (B)	Non-structural protein 10	polymer	140	14860.0	1	UniProt (P0DTD1) Pfam (PF09401)	Severe acute respiratory syndrome coronavirus 2	nsp10,Growth factor-like peptide,GFL
3	C (A)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	1	Chemie (MES)
4	D, E, F, H, I... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	14	Chemie (EDO)
5	G, S (A)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
6	K (A)	7-[(3~{S},4~{S},6~{R})-1-[(2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione	non-polymer		509.6	1	Chemie (A1IQS)
7	P (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
8	R (A)	S-ADENOSYLMETHIONINE	non-polymer		398.4	1	Chemie (SAM)
9	U, V (B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
10	X (B)	IMIDAZOLE	non-polymer		69.1	1	Chemie (IMD)
11	AA, Z (B, A)	water	water		18.0	110	Chemie (HOH)

Sequence modifications

A: 6799 - 7096 (UniProt: P0DTD1)

PDB	External Database	Details
Glu 7097	-	expression tag
Asn 7098	-	expression tag
Leu 7099	-	expression tag
Tyr 7100	-	expression tag
Phe 7101	-	expression tag
Gln 7102	-	expression tag

B: 4253 - 4391 (UniProt: P0DTD1)

PDB	External Database	Details
Gly 4252	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	49010.1
Non-Polymers*	Number of molecules	23
	Total formula weight	2296.2
All*	Total formula weight	51306.3

*Water molecules are not included.