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) PubChem (888)
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) PubChem (593) PubChem (6176) PubChem (25774) PubChem (177679034) PubChem (167714) PubChem (25322920) PubChem (25322922) PubChem (44119983) PubChem (53393603) PubChem (56845824) PubChem (57161090) PubChem (57411974) PubChem (58271893) PubChem (90230980) PubChem (92449054) PubChem (11641562) PubChem (12049240) PubChem (90478950) PubChem (12358859) PubChem (6602106) PubChem (123755547) PubChem (153426422) PubChem (171699329) PubChem (173381624)

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.