8XKO

CryoEM structure of compound HNC-1664 bound with RdRP-RNA complex of SARS-CoV-2

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)	RNA-directed RNA polymerase nsp12	polymer	944	108350.7	1	UniProt (P0DTD1) Pfam (PF06478) Pfam (PF00680)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)	Pol,RdRp,Non-structural protein 12,nsp12
2	B, D (B, D)	Non-structural protein 8	polymer	210	23455.7	2	UniProt (P0DTD1) Pfam (PF08717)	Severe acute respiratory syndrome coronavirus (2019-nCoV SARS-CoV-2)	nsp8
3	C (C)	Non-structural protein 7	polymer	89	10077.7	1	UniProt (P0DTD1) Pfam (PF08716)	Severe acute respiratory syndrome coronavirus (2019-nCoV SARS-CoV-2)	nsp7
4	E (E)	RNA (5'-R(P*CP*UP*AP*CP*GP*CP*GP*UP*AP*GP*CP*AP*UP*G)-3')	polymer	14	4462.7	1		synthetic construct
5	F (F)	RNA (5'-R(P*UP*UP*CP*AP*UP*GP*CP*UP*AP*CP*GP*CP*GP*UP*AP*G)-3')	polymer	19	5993.5	1		synthetic construct
6	G (A)	[[(2~{R},3~{R},4~{S},5~{R})-4-fluoranyl-5-(5-iodanyl-4-methyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate	non-polymer		633.1	1	Chemie (A1LVZ)
7	H, I, J (A)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)

Sequence modifications

A: 1 - 932 (UniProt: P0DTD1)

PDB	External Database	Details
Met -1	-	initiating methionine
Gly 0	-	expression tag
His 933	-	expression tag
His 934	-	expression tag
His 935	-	expression tag
His 936	-	expression tag
His 937	-	expression tag
His 938	-	expression tag
His 939	-	expression tag
His 940	-	expression tag
His 941	-	expression tag
His 942	-	expression tag

B, D: 1 - 197 (UniProt: P0DTD1)

PDB	External Database	Details
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag

C: 1 - 83 (UniProt: P0DTD1)

PDB	External Database	Details
His 84	-	expression tag
His 85	-	expression tag
His 86	-	expression tag
His 87	-	expression tag
His 88	-	expression tag
His 89	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	175796.0
Non-Polymers*	Number of molecules	4
	Total formula weight	706.0
All*	Total formula weight	176502.1

*Water molecules are not included.