8XYH

Cryo-EM structure of BANAL-20-52 spike protein (6P)

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	1282	141729.7	3	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Coronavirinae	S glycoprotein,E2,Peplomer protein
2	D, E, F (D, E, F)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	3	In PDB GlyTouCan (G42666HT)
3	AA, BA, BB, CA, DA... (B, C, A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	45	Chemie (NAG)
4	AB, LA, U (C, B, A)	LINOLEIC ACID	non-polymer		280.4	3	Chemie (EIC)

Sequence modifications

A, B, C: 1 - 1213 (UniProt: P0DTC2)

PDB	External Database	Details
Ser 32	Phe 32	conflict
Leu 50	Ser 50	conflict
Ile 76	Thr 76	variant
Arg 147	Lys 147	variant
Pro 218	Gln 218	conflict
Ser 292	Ala 292	conflict
Thr 346	Arg 346	conflict
Thr 372	Ala 372	conflict
Val 402	Ile 402	conflict
His 498	Gln 498	conflict
Asn 519	His 519	conflict
Ile 534	Val 534	variant
Ala 604	Thr 604	conflict
Asn 627	Asp 627	conflict
-	Pro 681	deletion
-	Arg 682	deletion
-	Arg 683	deletion
-	Ala 684	deletion
Gln 789	Pro 793	conflict
Pro 813	Phe 817	engineered mutation
Pro 888	Ala 892	engineered mutation
Pro 895	Ala 899	engineered mutation
Pro 938	Ala 942	engineered mutation
Pro 982	Lys 986	engineered mutation
Pro 983	Val 987	engineered mutation
Ser 1163	Gly 1167	conflict
Gly 1214	-	expression tag
Gly 1215	-	expression tag
Gly 1216	-	expression tag
Ser 1217	-	expression tag
Gly 1218	-	expression tag
Gly 1219	-	expression tag
Gly 1220	-	expression tag
Ser 1221	-	expression tag
Gly 1222	-	expression tag
Tyr 1223	-	expression tag
Ile 1224	-	expression tag
Pro 1225	-	expression tag
Glu 1226	-	expression tag
Ala 1227	-	expression tag
Pro 1228	-	expression tag
Arg 1229	-	expression tag
Asp 1230	-	expression tag
Gly 1231	-	expression tag
Gln 1232	-	expression tag
Ala 1233	-	expression tag
Tyr 1234	-	expression tag
Val 1235	-	expression tag
Arg 1236	-	expression tag
Lys 1237	-	expression tag
Asp 1238	-	expression tag
Gly 1239	-	expression tag
Glu 1240	-	expression tag
Trp 1241	-	expression tag
Val 1242	-	expression tag
Leu 1243	-	expression tag
Leu 1244	-	expression tag
Ser 1245	-	expression tag
Thr 1246	-	expression tag
Phe 1247	-	expression tag
Leu 1248	-	expression tag
Gly 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
Gly 1262	-	expression tag
Gly 1263	-	expression tag
Gly 1264	-	expression tag
Ser 1265	-	expression tag
Gly 1266	-	expression tag
Gly 1267	-	expression tag
Gly 1268	-	expression tag
Ser 1269	-	expression tag
Gly 1270	-	expression tag
Gly 1271	-	expression tag
Ser 1272	-	expression tag
Ser 1273	-	expression tag
Ala 1274	-	expression tag
Trp 1275	-	expression tag
Ser 1276	-	expression tag
His 1277	-	expression tag
Pro 1278	-	expression tag
Gln 1279	-	expression tag
Phe 1280	-	expression tag
Glu 1281	-	expression tag
Lys 1282	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	425189.2
Branched	Number of molecules	3
	Total formula weight	1273.2
Non-Polymers*	Number of molecules	48
	Total formula weight	10795.7
All*	Total formula weight	437258.1

*Water molecules are not included.