6WXC

Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with potential repurposing drug Tipiracil

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Uridylate-specific endoribonuclease	polymer	370	41657.2	2	UniProt (P0DTD1) Pfam (PF19219) Pfam (PF19216) Pfam (PF19215)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)	NSP15 endoribnuclease
2	C, M (A, B)	5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) METHYL) URACIL	non-polymer		242.7	2	Chemie (CMU)
3	D, N (A, B)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
4	E, F, G, H, I... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
5	K, P, Q, R (A, B)	FORMIC ACID	non-polymer		46.0	4	Chemie (FMT)
6	T, U (A, B)	water	water		18.0	702	Chemie (HOH)

Sequence modifications

A, B: 2 - 347 (UniProt: P0DTD1)

PDB	External Database	Details
Met -22	-	initiating methionine
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
Ser -15	-	expression tag
Ser -14	-	expression tag
Gly -13	-	expression tag
Val -12	-	expression tag
Asp -11	-	expression tag
Leu -10	-	expression tag
Gly -9	-	expression tag
Thr -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Ser -1	-	expression tag
Asn 0	-	expression tag
Met 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	83314.5
Non-Polymers*	Number of molecules	17
	Total formula weight	1418.0
All*	Total formula weight	84732.5

*Water molecules are not included.