24EW

SARS-CoV-2 polymerase with incorporated and pre-incorporated AT-9052-Sp

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, F (B, D)	Non-structural protein 8	polymer	220	24712.0	2	UniProt (P0DTD1)	Severe acute respiratory syndrome coronavirus 2	nsp8
2	B (C)	Non-structural protein 7	polymer	110	12337.1	1	UniProt (P0DTD1)	Severe acute respiratory syndrome coronavirus 2	nsp7
3	C (I)	RNA (5'-R(P*AP*UP*UP*AP*AP*GP*UP*UP*AP*U)-3')	polymer	20	6410.8	1		synthetic construct
4	D (J)	RNA (5'-R(P*CP*CP*CP*CP*AP*UP*AP*AP*CP*UP*UP*AP*AP*U)-3')	polymer	30	9348.6	1		synthetic construct
5	E (A)	RNA-directed RNA polymerase	polymer	956	109911.4	1	UniProt (P0DTD1)	Severe acute respiratory syndrome coronavirus 2	Pol,RdRp,Non-structural protein 12,nsp12
6	G (I)	[[(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl] dihydrogen phosphate	non-polymer		475.3	1	Chemie (IF9)
7	H, I (A)	ZINC ION	non-polymer		65.4	2	Chemie (ZN) PubChem (32051)
8	J, M, N (A)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG) PubChem (888)
9	K (A)	[[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate	non-polymer		555.3	1	Chemie (A1ME1)
10	L (A)	PYROPHOSPHATE 2-	non-polymer		176.0	1	Chemie (POP)

Sequence modifications

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

PDB	External Database	Details
Met -21	-	initiating methionine
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Asp -14	-	expression tag
Tyr -13	-	expression tag
Lys -12	-	expression tag
Asp -11	-	expression tag
Asp -10	-	expression tag
Asp -9	-	expression tag
Asp -8	-	expression tag
Lys -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
Met 0	-	initiating methionine
Gly 84	-	expression tag
Gly 85	-	expression tag
Gly 86	-	expression tag
Gly 87	-	expression tag
Ser 88	-	expression tag
Gly 89	-	expression tag
Leu 90	-	expression tag
Asn 91	-	expression tag
Asp 92	-	expression tag
Ile 93	-	expression tag
Phe 94	-	expression tag
Glu 95	-	expression tag
Ala 96	-	expression tag
Gln 97	-	expression tag
Lys 98	-	expression tag
Ile 99	-	expression tag
Glu 100	-	expression tag
Trp 101	-	expression tag
His 102	-	expression tag
Glu 103	-	expression tag
His 104	-	expression tag
His 105	-	expression tag
His 106	-	expression tag
His 107	-	expression tag
His 108	-	expression tag
His 109	-	expression tag

A: 1 - 932 (UniProt: P0DTD1)

PDB	External Database	Details
Met -23	-	initiating methionine
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Trp -14	-	expression tag
Ser -13	-	expression tag
His -12	-	expression tag
Pro -11	-	expression tag
Gln -10	-	expression tag
Phe -9	-	expression tag
Glu -8	-	expression tag
Lys -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

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	187432.0
Non-Polymers*	Number of molecules	8
	Total formula weight	1410.2
All*	Total formula weight	188842.2

*Water molecules are not included.