9CCI

Dissecting human monoclonal antibody responses from mRNA and protein-based booster vaccinations against XBB1.5 SARS-CoV-2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (B)	M39 Fab heavy chain	polymer	228	24543.4	1		Homo sapiens
2	B (A)	Spike glycoprotein	polymer	1242	137862.2	1	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2 2019-nCoV COVID-19 virus)	S glycoprotein,E2,Peplomer protein
3	C (C)	M39 Fab light chain	polymer	209	22990.5	1		Homo sapiens
4	D (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)

Sequence modifications

A: 5 - 1208 (UniProt: P0DTC2)

PDB	External Database	Details
Ile 23	Thr 19	variant
-	Leu 24	variant
-	Pro 25	variant
-	Pro 26	variant
Ser 28	Ala 27	variant
Ala 84	Val 83	variant
Asp 143	Gly 142	variant
-	Tyr 144	variant
Gln 146	His 146	variant
Glu 183	Gln 183	variant
Glu 213	Val 213	variant
Val 252	Gly 252	variant
Ile 307	Thr 307	conflict
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
Phe 455	Leu 455	conflict
Leu 456	Phe 456	conflict
Lys 460	Asn 460	variant
Val 475	Ala 475	conflict
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	engineered mutation
Ser 683	Arg 683	engineered mutation
Ser 685	Arg 685	engineered mutation
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
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
Leu 1232	-	expression tag
Leu 1233	-	expression tag
Ser 1234	-	expression tag
Thr 1235	-	expression tag
Phe 1236	-	expression tag
Leu 1237	-	expression tag
Gly 1238	-	expression tag
Arg 1239	-	expression tag
Ser 1240	-	expression tag
Leu 1241	-	expression tag
Glu 1242	-	expression tag
Val 1243	-	expression tag
Leu 1244	-	expression tag
Phe 1245	-	expression tag
Gln 1246	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	185396.0
Non-Polymers*	Number of molecules	1
	Total formula weight	221.2
All*	Total formula weight	185617.2

*Water molecules are not included.