8XAL

Cryo-EM structure of SARS-CoV-2 S-BQ.1 in complex with ACE2

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	1278	142010.5	3	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein
2	D, E (I, J)	Angiotensin-converting enzyme 2,Green fluorescent protein (Fragment)	polymer	861	98273.5	2	UniProt (Q9BYF1) UniProt (A0A059PIQ0) Pfam (PF01401)	Homo sapiens (human)
3	F (K)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
4	AA, BA, CA, DA, EA... (C, A, I, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	31	Chemie (NAG)

Sequence modifications

A, B, C: 1 - 1203 (UniProt: P0DTC2)

PDB	External Database	Details
Ile 19	Thr 19	engineered mutation
Ser 24	Leu 24	engineered mutation
-	Pro 25	deletion
-	Pro 26	deletion
-	Ala 27	deletion
-	His 69	deletion
-	Val 70	deletion
Asp 137	Gly 142	engineered mutation
Gly 208	Val 213	engineered mutation
Asp 334	Gly 339	engineered mutation
Phe 366	Ser 371	engineered mutation
Pro 368	Ser 373	engineered mutation
Phe 370	Ser 375	engineered mutation
Ala 371	Thr 376	engineered mutation
Asn 400	Asp 405	engineered mutation
Ser 403	Arg 408	engineered mutation
Asn 412	Lys 417	engineered mutation
Lys 435	Asn 440	engineered mutation
Thr 439	Lys 444	engineered mutation
Arg 447	Leu 452	engineered mutation
Lys 455	Asn 460	engineered mutation
Asn 472	Ser 477	engineered mutation
Lys 473	Thr 478	engineered mutation
Ala 479	Glu 484	engineered mutation
Val 481	Phe 486	engineered mutation
Arg 493	Gln 498	engineered mutation
Tyr 496	Asn 501	engineered mutation
His 500	Tyr 505	engineered mutation
Gly 609	Asp 614	engineered mutation
Tyr 650	His 655	engineered mutation
Lys 674	Asn 679	engineered mutation
His 676	Pro 681	engineered mutation
Gly 677	Arg 682	engineered mutation
Ser 678	Arg 683	engineered mutation
Ser 680	Arg 685	engineered mutation
Lys 759	Asn 764	engineered mutation
Tyr 791	Asp 796	engineered mutation
Pro 812	Phe 817	engineered mutation
Lys 851	Asn 856	engineered mutation
Pro 887	Ala 892	engineered mutation
Pro 894	Ala 899	engineered mutation
Pro 937	Ala 942	engineered mutation
His 949	Gln 954	engineered mutation
Lys 964	Asn 969	engineered mutation
Pro 981	Lys 986	engineered mutation
Pro 982	Val 987	engineered mutation
Glu 1204	-	expression tag
Phe 1205	-	expression tag
Gly 1206	-	expression tag
Ser 1207	-	expression tag
Gly 1208	-	expression tag
Gly 1209	-	expression tag
Tyr 1210	-	expression tag
Ile 1211	-	expression tag
Pro 1212	-	expression tag
Glu 1213	-	expression tag
Ala 1214	-	expression tag
Pro 1215	-	expression tag
Arg 1216	-	expression tag
Asp 1217	-	expression tag
Gly 1218	-	expression tag
Gln 1219	-	expression tag
Ala 1220	-	expression tag
Tyr 1221	-	expression tag
Val 1222	-	expression tag
Arg 1223	-	expression tag
Lys 1224	-	expression tag
Asp 1225	-	expression tag
Gly 1226	-	expression tag
Glu 1227	-	expression tag
Trp 1228	-	expression tag
Val 1229	-	expression tag
Leu 1230	-	expression tag
Leu 1231	-	expression tag
Ser 1232	-	expression tag
Thr 1233	-	expression tag
Phe 1234	-	expression tag
Leu 1235	-	expression tag
Lys 1236	-	expression tag
Gly 1237	-	expression tag
Gln 1238	-	expression tag
Asp 1239	-	expression tag
Asn 1240	-	expression tag
Ser 1241	-	expression tag
Ala 1242	-	expression tag
Asp 1243	-	expression tag
Ile 1244	-	expression tag
Gln 1245	-	expression tag
His 1246	-	expression tag
Ser 1247	-	expression tag
Gly 1248	-	expression tag
Arg 1249	-	expression tag
Pro 1250	-	expression tag
Leu 1251	-	expression tag
Glu 1252	-	expression tag
Ser 1253	-	expression tag
Arg 1254	-	expression tag
Gly 1255	-	expression tag
Pro 1256	-	expression tag
Phe 1257	-	expression tag
Glu 1258	-	expression tag
Gln 1259	-	expression tag
Lys 1260	-	expression tag
Leu 1261	-	expression tag
Ile 1262	-	expression tag
Ser 1263	-	expression tag
Glu 1264	-	expression tag
Glu 1265	-	expression tag
Asp 1266	-	expression tag
Leu 1267	-	expression tag
Asn 1268	-	expression tag
Met 1269	-	expression tag
His 1270	-	expression tag
Thr 1271	-	expression tag
Gly 1272	-	expression tag
His 1273	-	expression tag
His 1274	-	expression tag
His 1275	-	expression tag
His 1276	-	expression tag
His 1277	-	expression tag
His 1278	-	expression tag

I, J: 1 - 615 (UniProt: Q9BYF1)

PDB	External Database	Details
Gly 616	-	linker
Ser 617	-	linker
Gly 618	-	linker
Gly 619	-	linker
Ser 620	-	linker
Gly 621	-	linker
Ser 622	-	linker
Gly 623	-	linker
Gly 624	-	linker
Ser 625	-	linker

I, J: 626 - 861 (UniProt: A0A059PIQ0)

PDB	External Database	Details
Arg 653	Ser 30	conflict
Ser 695	Ala 72	conflict
Arg 703	Gln 80	conflict
Val 829	Ala 206	conflict

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	622578.4
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	31
	Total formula weight	6857.4
All*	Total formula weight	629860.3

*Water molecules are not included.