9GUE

SARS-CoV-2 methyltransferase nsp10-16 in complex with SAM and theophylline derivative LAS 57256189

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	AA, C, E, F, G... (B, A)	1,2-ETHANEDIOL	non-polymer		62.1	19	Chemie (EDO)
4	D (A)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	1	Chemie (MES)
5	P (A)	7-[(3~{S},4~{S},6~{R})-1-[(2~{S})-2-azanyl-4-methyl-pentanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione	non-polymer		436.5	1	Chemie (A1IO0)
6	T (A)	S-ADENOSYLMETHIONINE	non-polymer		398.4	1	Chemie (SAM)
7	U (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
8	W, X (B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
9	BA (B)	IMIDAZOLE	non-polymer		69.1	1	Chemie (IMD)
10	CA, DA (A, B)	water	water		18.0	321	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: 4254 - 4392 (UniProt: P0DTD1)

PDB	External Database	Details
Gly 4253	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	49010.1
Non-Polymers*	Number of molecules	26
	Total formula weight	2444.8
All*	Total formula weight	51454.9

*Water molecules are not included.