9YVI

Cryo-EM structure of BA.5 spike in complex with S22

This is a non-PDB format compatible entry.

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	1252	139006.5	3	UniProt (P0DTC2)	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein
2	D, E (G, M)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
3	AA, BA, CA, DA, EA... (C, A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	25	Chemie (NAG) PubChem (24139)
4	N, W, X (A, B)	N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}naphthalene-1-carboxamide	non-polymer		438.5	3	Chemie (A1CZB)

Sequence modifications

A, B, C: 3 - 1219 (UniProt: P0DTC2)

PDB	External Database	Details
Met -9	-	initiating methionine
Asp -8	-	expression tag
Ala -7	-	expression tag
Met -6	-	expression tag
Lys -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Leu -2	-	expression tag
Cys -1	-	expression tag
Cys 0	-	expression tag
Val 1	-	expression tag
Leu 2	-	expression tag
Cys 5	-	insertion
Gly 6	-	insertion
Ala 7	-	insertion
Val 8	Pro 9	conflict
Phe 9	Leu 10	conflict
Ala 12	-	insertion
Ile 19	Thr 19	conflict
-	Leu 24	deletion
-	Pro 25	deletion
-	Pro 26	deletion
Ser 24	Ala 27	conflict
-	His 69	deletion
-	Val 70	deletion
Asp 137	Gly 142	conflict
Gly 208	Val 213	conflict
Asp 334	Gly 339	conflict
Phe 366	Ser 371	conflict
Pro 368	Ser 373	conflict
Phe 370	Ser 375	conflict
Ala 371	Thr 376	conflict
Asn 400	Asp 405	conflict
Ser 403	Arg 408	conflict
Asn 412	Lys 417	conflict
Lys 435	Asn 440	conflict
Arg 447	Leu 452	conflict
Asn 472	Ser 477	conflict
Lys 473	Thr 478	conflict
Ala 479	Glu 484	conflict
Val 481	Phe 486	conflict
Arg 493	Gln 498	conflict
Tyr 496	Asn 501	conflict
His 500	Tyr 505	conflict
Gly 609	Asp 614	conflict
Tyr 650	His 655	conflict
Lys 674	Asn 679	conflict
His 676	Pro 681	conflict
Ala 677	Arg 682	conflict
Gly 678	Arg 683	conflict
Lys 759	Asn 764	conflict
Tyr 791	Asp 796	conflict
Pro 812	Phe 817	conflict
Pro 886	Ala 892	conflict
Pro 893	Ala 899	conflict
Pro 936	Ala 942	conflict
His 948	Gln 954	conflict
Lys 963	Asn 969	conflict
Pro 980	Lys 986	conflict
Pro 981	Val 987	conflict
Gly 1206	Trp 1212	conflict
Ser 1207	Pro 1213	conflict
Gly 1208	Trp 1214	conflict
Pro 1211	Trp 1217	conflict
Glu 1212	Leu 1218	conflict
Ala 1213	Gly 1219	conflict
Pro 1214	Phe 1220	conflict
Arg 1215	Ile 1221	conflict
Asp 1216	Ala 1222	conflict
Gln 1218	Leu 1224	conflict
Ala 1219	Ile 1225	conflict
Tyr 1220	-	expression tag
Val 1221	-	expression tag
Arg 1222	-	expression tag
Lys 1223	-	expression tag
Asp 1224	-	expression tag
Gly 1225	-	expression tag
Glu 1226	-	expression tag
Trp 1227	-	expression tag
Val 1228	-	expression tag
Leu 1229	-	expression tag
Leu 1230	-	expression tag
Ser 1231	-	expression tag
Thr 1232	-	expression tag
Phe 1233	-	expression tag
Leu 1234	-	expression tag
Gly 1235	-	expression tag
His 1236	-	expression tag
His 1237	-	expression tag
His 1238	-	expression tag
His 1239	-	expression tag
His 1240	-	expression tag
His 1241	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	417019.4
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	28
	Total formula weight	6845.8
All*	Total formula weight	424714.0

*Water molecules are not included.