6X45

SARS-CoV2 spike glycoprotein N-terminal heptad repeat domain + SARS-CoV2(QEYKKEKE)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, D (E, D, F)	Spike protein S2'	polymer	38	4172.7	3	UniProt (P0DTC2)	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein,spike glycoprotein C-terminal heptad repeat domain (QEYKKEKE)
2	C, E, F (C, B, A)	Spike protein S2'	polymer	57	5972.7	3	UniProt (P0DTC2) UniProt (by SIFTS) (A0A6C0RQ44)	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein,spike glycoprotein N-terminal heptad repeat domain
3	G, H, I (D, C, B)	water	water		18.0	8	Chemie (HOH)

Sequence modifications

E, D, F: 1168 - 1203 (UniProt: P0DTC2)

PDB	External Database	Details
Ace 1167	-	acetylation
Gln 1171	Gly 1171	engineered mutation
Glu 1180	Gln 1180	engineered mutation
Tyr 1181	Lys 1181	engineered mutation
Lys 1184	Asp 1184	engineered mutation
Lys 1185	Arg 1185	engineered mutation
Glu 1187	Asn 1187	engineered mutation
Lys 1192	Asn 1192	engineered mutation
Glu 1194	Asn 1194	engineered mutation
Nh2 1204	-	amidation

C, B, A: 912 - 966 (UniProt: P0DTC2)

PDB	External Database	Details
Ace 911	-	acetylation
Nh2 967	-	amidation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	30436.3
All*	Total formula weight	30436.3

*Water molecules are not included.