8XI6

SARS-CoV-2 Omicron BQ.1.1 Variant Spike Protein Complexed with MO11 Fab

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	1247	138784.1	3	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein
2	D, F, H (D, F, H)	MO11 heavy chain	polymer	232	24479.3	3		Homo sapiens
3	E, G, I (E, G, I)	MO11 light chain	polymer	214	22848.3	3		Homo sapiens
4	J, K, L, O, P... (J, K, L, O, P...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	9	In PDB GlyTouCan (G42666HT)
5	M, R, W (M, R, W)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		732.7	3	In PDB GlyTouCan (G32152BH)
6	N, S, X (N, S, X)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	3	In PDB GlyTouCan (G21290RB)
7	AA, BA, CA, DA, EA... (A, B, C)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	21	Chemie (NAG)

Sequence modifications

A, B, C: 4 - 1213 (UniProt: P0DTC2)

PDB	External Database	Details
Ile 22	Thr 19	variant
-	Leu 24	deletion
-	Pro 25	deletion
-	Pro 26	deletion
Ser 27	Ala 27	variant
-	His 69	deletion
-	Val 70	deletion
Asp 142	Gly 142	variant
Gly 213	Val 213	variant
Asp 339	Gly 339	variant
Thr 346	Arg 346	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
Thr 444	Lys 444	variant
Arg 452	Leu 452	variant
Lys 460	Asn 460	variant
Asn 477	Ser 477	variant
Lys 478	Thr 478	variant
Ala 484	Glu 484	variant
Val 486	Phe 486	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 682	Asn 679	variant
His 684	Pro 681	variant
-	Arg 682	deletion
-	Arg 683	deletion
-	Arg 685	deletion
Lys 764	Asn 764	variant
Tyr 796	Asp 796	variant
Pro 817	Phe 817	engineered mutation
Pro 892	Ala 892	engineered mutation
Pro 899	Ala 899	engineered mutation
Pro 942	Ala 942	engineered mutation
His 954	Gln 954	variant
Lys 969	Asn 969	variant
Pro 986	Lys 986	engineered mutation
Pro 987	Val 987	engineered mutation
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
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
Phe 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
His 1250	-	expression tag
His 1251	-	expression tag
His 1252	-	expression tag
His 1253	-	expression tag
His 1254	-	expression tag
His 1255	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	9
	Total formula weight	558335.3
Branched	Number of molecules	15
	Total formula weight	7729.3
Non-Polymers*	Number of molecules	21
	Total formula weight	4645.4
All*	Total formula weight	570710.0

*Water molecules are not included.