6ZP5

SARS-CoV-2 spike in prefusion state (flexibility analysis, 1-up closed 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	Spike glycoprotein	polymer	1288	142399.4	3	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601) In PDB	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)	S glycoprotein,E2,Peplomer protein
2	c, D, d, G, H...	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	16	In PDB GlyTouCan (G42666HT)
3	E, F, R, U	alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	4	In PDB GlyTouCan (G81315DD)
4	a, b, N, O, W...	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	6	In PDB GlyTouCan (G15407YE)
5	Q	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G62916OK)
6	C, A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	18	Chemie (NAG)
7	A, C	alpha-D-mannopyranose	non-polymer		180.2	2	Chemie (MAN)
8	A	DIMETHYL SULFOXIDE	non-polymer		78.1	3	Chemie (DMS)

Sequence modifications

A, B, C: -26 - 1181 (UniProt: P0DTC2)

PDB	External Database	Details
Gly 655	Arg 682	engineered mutation
Ser 656	Arg 683	engineered mutation
Ser 658	Arg 685	engineered mutation
Pro 959	Lys 986	engineered mutation
Pro 960	Val 987	engineered mutation
Gly 1182	-	expression tag
Ser 1183	-	expression tag
Gly 1184	-	expression tag
Tyr 1185	-	expression tag
Ile 1186	-	expression tag
Pro 1187	-	expression tag
Glu 1188	-	expression tag
Ala 1189	-	expression tag
Pro 1190	-	expression tag
Arg 1191	-	expression tag
Asp 1192	-	expression tag
Gly 1193	-	expression tag
Gln 1194	-	expression tag
Ala 1195	-	expression tag
Tyr 1196	-	expression tag
Val 1197	-	expression tag
Arg 1198	-	expression tag
Lys 1199	-	expression tag
Asp 1200	-	expression tag
Gly 1201	-	expression tag
Glu 1202	-	expression tag
Trp 1203	-	expression tag
Val 1204	-	expression tag
Leu 1205	-	expression tag
Leu 1206	-	expression tag
Ser 1207	-	expression tag
Thr 1208	-	expression tag
Phe 1209	-	expression tag
Leu 1210	-	expression tag
Gly 1211	-	expression tag
Arg 1212	-	expression tag
Ser 1213	-	expression tag
Leu 1214	-	expression tag
Glu 1215	-	expression tag
Val 1216	-	expression tag
Leu 1217	-	expression tag
Phe 1218	-	expression tag
Gln 1219	-	expression tag
Gly 1220	-	expression tag
Pro 1221	-	expression tag
Gly 1222	-	expression tag
His 1223	-	expression tag
His 1224	-	expression tag
His 1225	-	expression tag
His 1226	-	expression tag
His 1227	-	expression tag
His 1228	-	expression tag
His 1229	-	expression tag
His 1230	-	expression tag
Ser 1231	-	expression tag
Ala 1232	-	expression tag
Trp 1233	-	expression tag
Ser 1234	-	expression tag
His 1235	-	expression tag
Pro 1236	-	expression tag
Gln 1237	-	expression tag
Phe 1238	-	expression tag
Glu 1239	-	expression tag
Lys 1240	-	expression tag
Gly 1241	-	expression tag
Gly 1242	-	expression tag
Gly 1243	-	expression tag
Ser 1244	-	expression tag
Gly 1245	-	expression tag
Gly 1246	-	expression tag
Gly 1247	-	expression tag
Gly 1248	-	expression tag
Ser 1249	-	expression tag
Gly 1250	-	expression tag
Gly 1251	-	expression tag
Ser 1252	-	expression tag
Ala 1253	-	expression tag
Trp 1254	-	expression tag
Ser 1255	-	expression tag
His 1256	-	expression tag
Pro 1257	-	expression tag
Gln 1258	-	expression tag
Phe 1259	-	expression tag
Glu 1260	-	expression tag
Lys 1261	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	427198.1
Branched	Number of molecules	27
	Total formula weight	13890.9
Non-Polymers*	Number of molecules	23
	Total formula weight	4576.5
All*	Total formula weight	445665.5

*Water molecules are not included.