9XIB

SARS-CoV-2 Omicron LP.8.1 spike trimer (S-6P) in complex with 3 ZL58 Fabs and 3 ZL525 Fabs

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, F, K (E, D, F)	Heavy chain of ZL525 Fab	polymer	228	24189.1	3		Homo sapiens (human)
2	B, G, L (M, G, H)	Light chain of ZL525 Fab	polymer	217	22890.3	3		Homo sapiens
3	C, H, M (d, I, J)	Heavy chain of ZL58 Fab	polymer	221	23329.0	3		Homo sapiens (human)
4	D, I, N (f, K, L)	Light chain of ZL58 Fab	polymer	214	23467.0	3		Homo sapiens (human)
5	E, J, O (A, B, C)	Spike glycoprotein	polymer	1238	137576.6	3	UniProt (P0DTC2)	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein
6	P, Q, R, S, T... (N, O, P, Q, R...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	9	In PDB
7	AA, BA, CA, DA, EA... (A, B, C)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	15	Chemie (NAG) PubChem (24139)

Sequence modifications

A, B, C: 32 - 1211 (UniProt: P0DTC2)

PDB	External Database	Details
Gln 10	-	expression tag
Cys 11	-	expression tag
Val 12	-	expression tag
Met 13	-	expression tag
Pro 14	-	expression tag
Leu 15	-	expression tag
Phe 16	-	expression tag
Asn 17	-	expression tag
Leu 18	-	expression tag
Ile 19	-	expression tag
Thr 20	-	expression tag
Thr 21	-	expression tag
Thr 22	-	expression tag
Gln 23	-	expression tag
Ser 27	-	expression tag
Tyr 28	-	expression tag
Thr 29	-	expression tag
Asn 30	-	expression tag
Leu 50	Ser 50	variant
-	His 69	deletion
-	Val 70	deletion
Phe 127	Val 127	variant
Asp 142	Gly 142	variant
-	Tyr 144	deletion
Ser 157	Phe 157	variant
Gly 158	Arg 158	variant
Leu 186	Phe 186	variant
Ser 190	Arg 190	variant
-	Asn 211	deletion
Ile 212	Leu 212	variant
Gly 213	Val 213	variant
Phe 216	Leu 216	variant
Asn 245	His 245	variant
Asp 264	Ala 264	variant
Val 332	Ile 332	variant
His 339	Gly 339	variant
Thr 346	Arg 346	variant
Thr 356	Lys 356	variant
Phe 371	Ser 371	variant
Pro 373	Ser 373	variant
Phe 375	Ser 375	variant
Ala 376	Thr 376	variant
Lys 403	Arg 403	variant
Asn 405	Asp 405	variant
Ser 408	Arg 408	variant
Asn 417	Lys 417	variant
Lys 440	Asn 440	variant
Arg 445	Val 445	variant
Ser 446	Gly 446	variant
Asp 450	Asn 450	variant
Trp 452	Leu 452	variant
Ser 455	Leu 455	variant
Leu 456	Phe 456	variant
Lys 460	Asn 460	variant
Asn 477	Ser 477	variant
Lys 478	Thr 478	variant
Lys 481	Asn 481	variant
-	Val 483	deletion
Lys 484	Glu 484	variant
Pro 486	Phe 486	variant
Glu 493	Gln 493	variant
Arg 498	Gln 498	variant
Tyr 501	Asn 501	variant
His 505	Tyr 505	variant
Lys 554	Glu 554	variant
Val 570	Ala 570	variant
Gly 614	Asp 614	variant
Ser 621	Pro 621	variant
Tyr 655	His 655	variant
Val 670	Ile 670	variant
Lys 683	Asn 679	variant
-	Pro 681	deletion
-	Arg 682	deletion
-	Arg 683	deletion
-	Ala 684	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
Phe 939	Ser 939	variant
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 1143	Pro 1143	variant
Gly 1212	-	expression tag
Ser 1213	-	expression tag
Gly 1214	-	expression tag
Arg 1215	-	expression tag
Glu 1216	-	expression tag
Asn 1217	-	expression tag
Leu 1218	-	expression tag
Tyr 1219	-	expression tag
Phe 1220	-	expression tag
Gln 1221	-	expression tag
Gly 1222	-	expression tag
Gly 1223	-	expression tag
Gly 1224	-	expression tag
Gly 1225	-	expression tag
Ser 1226	-	expression tag
Gly 1227	-	expression tag
Tyr 1228	-	expression tag
Ile 1229	-	expression tag
Pro 1230	-	expression tag
Glu 1231	-	expression tag
Ala 1232	-	expression tag
Pro 1233	-	expression tag
Arg 1234	-	expression tag
Asp 1235	-	expression tag
Gly 1236	-	expression tag
Gln 1237	-	expression tag
Ala 1238	-	expression tag
Tyr 1239	-	expression tag
Val 1240	-	expression tag
Arg 1241	-	expression tag
Lys 1242	-	expression tag
Asp 1243	-	expression tag
Gly 1244	-	expression tag
Glu 1245	-	expression tag
Trp 1246	-	expression tag
Val 1247	-	expression tag
Leu 1248	-	expression tag
Leu 1249	-	expression tag
Ser 1250	-	expression tag
Thr 1251	-	expression tag
Phe 1252	-	expression tag
Leu 1253	-	expression tag
Gly 1254	-	expression tag
His 1255	-	expression tag
His 1256	-	expression tag
His 1257	-	expression tag
His 1258	-	expression tag
His 1259	-	expression tag
His 1260	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	15
	Total formula weight	694355.9
Branched	Number of molecules	9
	Total formula weight	3819.6
Non-Polymers*	Number of molecules	15
	Total formula weight	3318.1
All*	Total formula weight	701493.6

*Water molecules are not included.