9GUY

SARS-CoV-2 methyltransferase nsp10-16 in complex with SAM and theophylline derivative LAS 54571098

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 (B)	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 (C)	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, BA, C, E, EA... (B, C)	1,2-ETHANEDIOL	non-polymer		62.1	23	Chemie (EDO)
4	D (B)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	1	Chemie (MES)
5	U (B)	~{N}-[(5~{S})-5-azanyl-6-[(3~{S},4~{S},6~{R})-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-4-methyl-4,6-bis(oxidanyl)azepan-1-yl]-6-oxidanylidene-hexyl]ethanamide	non-polymer		493.6	1	Chemie (A1IOL)
6	V (B)	S-ADENOSYLMETHIONINE	non-polymer		398.4	1	Chemie (SAM)
7	FA, W, X (C, B)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
8	CA, DA (C)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
9	HA, IA (B, C)	water	water		18.0	314	Chemie (HOH)

Sequence modifications

B: 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

C: 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	31
	Total formula weight	2752.0
All*	Total formula weight	51762.0

*Water molecules are not included.