8VAO

Simulation-driven design of prefusion stabilized SARS-CoV-2 spike S2 antigen

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 protein S2	polymer	512	56323.5	3	UniProt (P0DTC2) In PDB	Severe acute respiratory syndrome coronavirus 2
2	A, B, C	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	9	Chemie (NAG)

Sequence modifications

A, B, C: 697 - 1208 (UniProt: P0DTC2)

PDB	External Database	Details
Cys 704	Ser 704	engineered mutation
Cys 790	Lys 790	engineered mutation
Pro 817	Phe 817	engineered mutation
Pro 892	Ala 892	engineered mutation
Pro 899	Ala 899	engineered mutation
Pro 942	Ala 942	engineered mutation
Glu 957	Gln 957	engineered mutation
Pro 986	Lys 986	engineered mutation
Pro 987	Val 987	engineered mutation
Trp 991	Val 991	engineered mutation
Trp 998	Thr 998	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	168970.5
Non-Polymers*	Number of molecules	9
	Total formula weight	1990.9
All*	Total formula weight	170961.3

*Water molecules are not included.