7E7B

Cryo-EM structure of the SARS-CoV-2 furin site mutant S-Trimer from a subunit vaccine candidate

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	Spike glycoprotein,Collagen alpha-1(I) chain	polymer	1520	168078.2	3	UniProt (P0DTC2) UniProt (P02452) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601) Pfam (PF01391) Pfam (PF01410) In PDB	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)	S glycoprotein,E2,Peplomer protein,Alpha-1 type I collagen
2	a, b, c, D, d...	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	39	In PDB GlyTouCan (G42666HT)
3	B, C, A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	15	Chemie (NAG)
4	B, A	9-OCTADECENOIC ACID	non-polymer		282.5	3	Chemie (ELA)
5	B, A	2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside	non-polymer		604.8	3	Chemie (VCG)
6		water	water		18.0	36	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 1211 (UniProt: P0DTC2)

PDB	External Database	Details
Ala 685	Arg 685	engineered mutation
Arg 1212	-	linker
Ser 1213	-	linker

A, B, C: 1214 - 1520 (UniProt: P02452)

PDB	External Database	Details
Asn 1277	Asp 1219	variant
Lys 1449	Gln 1391	variant
Ser 1492	Thr 1434	variant

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	504234.6
Branched	Number of molecules	39
	Total formula weight	16551.6
Non-Polymers*	Number of molecules	21
	Total formula weight	5979.9
All*	Total formula weight	526766.2

*Water molecules are not included.