8ZY4

Sarbecovirus YN2013 Spike Trimer in a Locked Conformation

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)	Spike glycoprotein	polymer	1247	137681.4	3	UniProt (A0A0U1WJY8) Pfam (PF16451) Pfam (PF09408) Pfam (PF01601)	BtRs-BetaCoV/YN2013	S glycoprotein,E2,Peplomer protein
2	D, E, F, G, H... (D, E, F, G, H...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	15	In PDB GlyTouCan (G42666HT)
3	AA, AB, BA, BB, CA... (A, C, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	42	Chemie (NAG)
4	FA, KB, VA (A, C, B)	3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid	non-polymer		584.7	3	Chemie (BLR)

Sequence modifications

A, B, C: 1 - 1168 (UniProt: A0A0U1WJY8)

PDB	External Database	Details
Pro 946	Lys 946	engineered mutation
Pro 947	Val 947	engineered mutation
Gly 1169	-	expression tag
Ser 1170	-	expression tag
Gly 1171	-	expression tag
Tyr 1172	-	expression tag
Ile 1173	-	expression tag
Pro 1174	-	expression tag
Glu 1175	-	expression tag
Ala 1176	-	expression tag
Pro 1177	-	expression tag
Arg 1178	-	expression tag
Asp 1179	-	expression tag
Gly 1180	-	expression tag
Gln 1181	-	expression tag
Ala 1182	-	expression tag
Tyr 1183	-	expression tag
Val 1184	-	expression tag
Arg 1185	-	expression tag
Lys 1186	-	expression tag
Asp 1187	-	expression tag
Gly 1188	-	expression tag
Glu 1189	-	expression tag
Trp 1190	-	expression tag
Val 1191	-	expression tag
Leu 1192	-	expression tag
Leu 1193	-	expression tag
Ser 1194	-	expression tag
Thr 1195	-	expression tag
Phe 1196	-	expression tag
Leu 1197	-	expression tag
Leu 1198	-	expression tag
Glu 1199	-	expression tag
Val 1200	-	expression tag
Leu 1201	-	expression tag
Phe 1202	-	expression tag
Gln 1203	-	expression tag
Gly 1204	-	expression tag
Pro 1205	-	expression tag
Gly 1206	-	expression tag
His 1207	-	expression tag
His 1208	-	expression tag
His 1209	-	expression tag
His 1210	-	expression tag
His 1211	-	expression tag
His 1212	-	expression tag
His 1213	-	expression tag
His 1214	-	expression tag
Ser 1215	-	expression tag
Ala 1216	-	expression tag
Trp 1217	-	expression tag
Ser 1218	-	expression tag
His 1219	-	expression tag
Pro 1220	-	expression tag
Gln 1221	-	expression tag
Phe 1222	-	expression tag
Glu 1223	-	expression tag
Lys 1224	-	expression tag
Gly 1225	-	expression tag
Gly 1226	-	expression tag
Gly 1227	-	expression tag
Ser 1228	-	expression tag
Gly 1229	-	expression tag
Gly 1230	-	expression tag
Gly 1231	-	expression tag
Gly 1232	-	expression tag
Ser 1233	-	expression tag
Gly 1234	-	expression tag
Gly 1235	-	expression tag
Ser 1236	-	expression tag
Ala 1237	-	expression tag
Trp 1238	-	expression tag
Ser 1239	-	expression tag
His 1240	-	expression tag
Pro 1241	-	expression tag
Gln 1242	-	expression tag
Phe 1243	-	expression tag
Glu 1244	-	expression tag
Lys 1245	-	expression tag
Ser 1246	-	expression tag
Ala 1247	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	413044.2
Branched	Number of molecules	15
	Total formula weight	6366.0
Non-Polymers*	Number of molecules	45
	Total formula weight	11044.7
All*	Total formula weight	430455.0

*Water molecules are not included.