9L15

Structure of SARS-CoV-2 EG.5.1 Variant Spike protein complexed with antibody XGi-203

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E (H, I, J)	XGi-203 heavy chain	polymer	453	49637.8	3		Homo sapiens
2	B, D, F (L, M, N)	XGi-203 light chain	polymer	217	23255.4	3		Homo sapiens
3	G, H, I (C, B, A)	Spike glycoprotein	polymer	1295	143147.6	3	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein
4	AA, BA, CA, DA, J... (a, b, c, d, D...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	20	In PDB GlyTouCan (G42666HT)
5	L (F)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G15407YE)
6	EA, FA, GA, HA, IA... (C, B, A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	19	Chemie (NAG)

Sequence modifications

C, B, A: 14 - 1208 (UniProt: P0DTC2)

PDB	External Database	Details
Met -10	-	initiating methionine
Pro -9	-	expression tag
Met -8	-	expression tag
Gly -7	-	expression tag
Ser -6	-	expression tag
Leu -5	-	expression tag
Gln -4	-	expression tag
Pro -3	-	expression tag
Leu -2	-	expression tag
Ala -1	-	expression tag
Thr 0	-	expression tag
Leu 1	-	expression tag
Tyr 2	-	expression tag
Leu 3	-	expression tag
Leu 4	-	expression tag
Gly 5	-	expression tag
Met 6	-	expression tag
Leu 7	-	expression tag
Val 8	-	expression tag
Ala 9	-	expression tag
Ser 10	-	expression tag
Val 11	-	expression tag
Leu 12	-	expression tag
Ala 13	-	expression tag
Ile 19	Thr 19	variant
-	Leu 24	deletion
-	Pro 25	deletion
-	Pro 26	deletion
Ser 27	Ala 27	variant
His 52	Gln 52	variant
Ala 83	Val 83	variant
Asp 142	Gly 142	variant
-	Tyr 144	deletion
Gln 146	His 146	variant
Glu 183	Gln 183	variant
Glu 213	Val 213	variant
Val 252	Gly 252	variant
His 339	Gly 339	variant
Thr 346	Arg 346	variant
Ile 368	Leu 368	variant
Phe 371	Ser 371	variant
Pro 373	Ser 373	variant
Phe 375	Ser 375	variant
Ala 376	Thr 376	variant
Asn 405	Asp 405	variant
Ser 408	Arg 408	variant
Asn 417	Lys 417	variant
Lys 440	Asn 440	variant
Pro 445	Val 445	variant
Ser 446	Gly 446	variant
Leu 456	Phe 456	variant
Lys 460	Asn 460	variant
Asn 477	Ser 477	variant
Lys 478	Thr 478	variant
Ala 484	Glu 484	variant
Pro 486	Phe 486	variant
Ser 490	Phe 490	variant
Arg 498	Gln 498	variant
Tyr 501	Asn 501	variant
His 505	Tyr 505	variant
Gly 614	Asp 614	variant
Tyr 655	His 655	variant
Lys 679	Asn 679	variant
His 681	Pro 681	variant
Gly 682	Arg 682	conflict
Ser 683	Arg 683	conflict
Ser 685	Arg 685	conflict
Lys 764	Asn 764	variant
Tyr 796	Asp 796	variant
Pro 817	Phe 817	conflict
Pro 892	Ala 892	conflict
Pro 899	Ala 899	conflict
Pro 942	Ala 942	conflict
His 954	Gln 954	variant
Lys 969	Asn 969	variant
Pro 986	Lys 986	variant
Pro 987	Val 987	variant
Gly 1209	-	expression tag
Ser 1210	-	expression tag
Gly 1211	-	expression tag
Tyr 1212	-	expression tag
Ile 1213	-	expression tag
Pro 1214	-	expression tag
Glu 1215	-	expression tag
Ala 1216	-	expression tag
Pro 1217	-	expression tag
Arg 1218	-	expression tag
Asp 1219	-	expression tag
Gly 1220	-	expression tag
Gln 1221	-	expression tag
Ala 1222	-	expression tag
Tyr 1223	-	expression tag
Val 1224	-	expression tag
Arg 1225	-	expression tag
Lys 1226	-	expression tag
Asp 1227	-	expression tag
Gly 1228	-	expression tag
Glu 1229	-	expression tag
Trp 1230	-	expression tag
Val 1231	-	expression tag
Phe 1232	-	expression tag
Leu 1233	-	expression tag
Ser 1234	-	expression tag
Thr 1235	-	expression tag
Phe 1236	-	expression tag
Leu 1237	-	expression tag
Ser 1238	-	expression tag
Gly 1239	-	expression tag
Leu 1240	-	expression tag
Glu 1241	-	expression tag
Val 1242	-	expression tag
Leu 1243	-	expression tag
Phe 1244	-	expression tag
Gln 1245	-	expression tag
Gly 1246	-	expression tag
Pro 1247	-	expression tag
Gly 1248	-	expression tag
Gly 1249	-	expression tag
Trp 1250	-	expression tag
Ser 1251	-	expression tag
His 1252	-	expression tag
Pro 1253	-	expression tag
Gln 1254	-	expression tag
Phe 1255	-	expression tag
Glu 1256	-	expression tag
Lys 1257	-	expression tag
Gly 1258	-	expression tag
Gly 1259	-	expression tag
Gly 1260	-	expression tag
Ser 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
Ser 1268	-	expression tag
Ala 1269	-	expression tag
Trp 1270	-	expression tag
Ser 1271	-	expression tag
His 1272	-	expression tag
Pro 1273	-	expression tag
Gln 1274	-	expression tag
Phe 1275	-	expression tag
Glu 1276	-	expression tag
Lys 1277	-	expression tag
Gly 1278	-	expression tag
Gly 1279	-	expression tag
Ser 1280	-	expression tag
His 1281	-	expression tag
His 1282	-	expression tag
His 1283	-	expression tag
His 1284	-	expression tag
His 1285	-	expression tag
His 1286	-	expression tag
His 1287	-	expression tag
His 1288	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	9
	Total formula weight	648122.5
Branched	Number of molecules	21
	Total formula weight	9074.6
Non-Polymers*	Number of molecules	19
	Total formula weight	4203.0
All*	Total formula weight	661400.0

*Water molecules are not included.