6WTT

Crystals Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor GC-376

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C (A, B, C)	3C-like proteinase	polymer	310	34379.1	3	UniProt (P0DTD1) Pfam (PF05409)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
2	D, K (A, B)	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	non-polymer		485.6	2	Chemie (K36) PubChem (77987125) PubChem (71481120) PubChem (131704476) PubChem (118737648) PubChem (172472623) PubChem (131704478) PubChem (137348969) PubChem (137349627) PubChem (138734767) PubChem (156198974) PubChem (162651992) PubChem (163337713) PubChem (169544973)
3	E (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG) PubChem (8117)
4	F (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL) PubChem (753)
5	G, H, I, L, O (A, B, C)	CHLORIDE ION	non-polymer		35.5	5	Chemie (CL) PubChem (312)
6	J, M (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG) PubChem (888)
7	N (C)	(1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	non-polymer		485.6	1	Chemie (B1S)
8	P, Q, R (A, B, C)	water	water		18.0	327	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 304 (UniProt: P0DTD1)

PDB	External Database	Details
His 305	-	expression tag
His 306	-	expression tag
His 307	-	expression tag
His 308	-	expression tag
His 309	-	expression tag
His 310	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	103137.4
Non-Polymers*	Number of molecules	12
	Total formula weight	1880.7
All*	Total formula weight	105018.1

*Water molecules are not included.