9BLF

SARS-CoV-2 core polymerase complex inhibited by araCTP

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	964	110424.9	1	UniProt (P0DTD1) Pfam (PF06478) Pfam (PF00680)	Severe acute respiratory syndrome coronavirus 2	pp1ab,ORF1ab polyprotein
2	B, D (B, D)	Non-structural protein 8	polymer	199	21960.1	2	UniProt (P0DTD1) Pfam (PF08717)	Severe acute respiratory syndrome coronavirus 2	nsp8
3	C (C)	Non-structural protein 7	polymer	84	9305.9	1	UniProt (P0DTD1) Pfam (PF08716) UniProt (by SIFTS) (P0DTC1)	Severe acute respiratory syndrome coronavirus 2	nsp7
4	E (P)	Primer RNA	polymer	31	9815.9	1		Severe acute respiratory syndrome coronavirus 2
5	F (T)	Template RNA	polymer	38	12277.3	1		synthetic construct
6	G, H (A)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
7	I, K, M (A)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
8	J, L (A)	4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one	non-polymer		483.2	2	Chemie (HF4)

Sequence modifications

A: -1 - 932 (UniProt: P0DTD1)

PDB	External Database	Details
Met -1	Leu 4391	conflict
Gly 0	Gln 4392	conflict
Glu 933	-	expression tag
Asn 934	-	expression tag
Leu 935	-	expression tag
Tyr 936	-	expression tag
Phe 937	-	expression tag
Gln 938	-	expression tag
Gly 939	-	expression tag
Ser 940	-	expression tag
Trp 941	-	expression tag
Ser 942	-	expression tag
His 943	-	expression tag
Pro 944	-	expression tag
Gln 945	-	expression tag
Phe 946	-	expression tag
Glu 947	-	expression tag
Lys 948	-	expression tag
Gly 949	-	expression tag
Gly 950	-	expression tag
Ser 951	-	expression tag
Gly 952	-	expression tag
Ser 953	-	expression tag
Ser 954	-	expression tag
Trp 955	-	expression tag
Ser 956	-	expression tag
His 957	-	expression tag
Pro 958	-	expression tag
Gln 959	-	expression tag
Phe 960	-	expression tag
Glu 961	-	expression tag
Lys 962	-	expression tag

B, D: 1 - 198 (UniProt: P0DTD1)

PDB	External Database	Details
Gly 0	-	expression tag

C: 1 - 83 (UniProt: P0DTD1)

PDB	External Database	Details
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	185744.2
Non-Polymers*	Number of molecules	7
	Total formula weight	1170.0
All*	Total formula weight	186914.2

*Water molecules are not included.