7N3K

Oridonin-bound SARS-CoV-2 Nsp9

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, E...)	Non-structural protein 9	polymer	133	14592.6	8	UniProt (P0DTD1) Pfam (PF08710)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)	nsp9
2	I, J, L, M, O... (A, B, C, D, E...)	(1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one	non-polymer		366.4	8	Chemie (ODN)
3	K, N, Q, S (B, D, F, G)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)

Sequence modifications

A, B, C, D, E, F, G, H: 1 - 113 (UniProt: P0DTD1)

PDB	External Database	Details
Met -19	-	initiating methionine
Ala -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ser -11	-	expression tag
Ala -10	-	expression tag
Ala -9	-	expression tag
Leu -8	-	expression tag
Glu -7	-	expression tag
Val -6	-	expression tag
Leu -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Gly -2	-	expression tag
Pro -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	116741.1
Non-Polymers*	Number of molecules	12
	Total formula weight	3315.8
All*	Total formula weight	120057.0

*Water molecules are not included.