8R8K

XBB-4 Fab in complex with SARS-CoV-2 BA.2.12.1 Spike Glycoprotein

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Spike glycoprotein,Fibritin	polymer	1285	142729.3	1	UniProt (P0DTC2) UniProt (P10104) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein,Collar protein,Whisker antigen control protein
2	B (H)	XBB-4 Fab Heavy chain	polymer	233	24755.7	1		Homo sapiens
3	C (L)	XBB-4 Fab Light chain	polymer	214	23185.8	1		Homo sapiens

Sequence modifications

A: 1 - 1192 (UniProt: P0DTC2)

PDB	External Database	Details
Ile 19	Thr 19	conflict
-	Leu 24	deletion
-	Pro 25	deletion
-	Pro 26	deletion
Ser 24	Ala 27	conflict
Asp 139	Gly 142	conflict
Gly 210	Val 213	conflict
Asp 336	Gly 339	conflict
Phe 368	Ser 371	conflict
Pro 370	Ser 373	conflict
Phe 372	Ser 375	conflict
Ala 373	Thr 376	conflict
Asn 402	Asp 405	conflict
Ser 405	Arg 408	conflict
Asn 414	Lys 417	conflict
Lys 437	Asn 440	conflict
Gln 449	Leu 452	conflict
Asn 474	Ser 477	conflict
Lys 475	Thr 478	conflict
Ala 481	Glu 484	conflict
Arg 490	Gln 493	conflict
Arg 495	Gln 498	conflict
Tyr 498	Asn 501	conflict
His 502	Tyr 505	conflict
Gly 611	Asp 614	conflict
Tyr 652	His 655	conflict
Lys 676	Asn 679	conflict
His 678	Pro 681	conflict
Leu 701	Ser 704	conflict
Lys 761	Asn 764	conflict
Tyr 793	Asp 796	conflict
His 951	Gln 954	conflict
Lys 966	Asn 969	conflict
Ser 1193	-	linker
Leu 1194	-	linker
Ile 1195	-	linker
Asp 1196	-	linker
Leu 1197	-	linker
Gln 1198	-	linker
Glu 1199	-	linker
Leu 1200	-	linker
Gly 1201	-	linker
Lys 1202	-	linker
Tyr 1203	-	linker
Glu 1204	-	linker
Gln 1205	-	linker
Gly 1206	-	linker
Ser 1207	-	linker

A: 1208 - 1234 (UniProt: P10104)

PDB	External Database	Details
Leu 1229	Phe 479	conflict
Gly 1235	-	expression tag
Arg 1236	-	expression tag
Ser 1237	-	expression tag
Leu 1238	-	expression tag
Glu 1239	-	expression tag
Val 1240	-	expression tag
Leu 1241	-	expression tag
Phe 1242	-	expression tag
Gln 1243	-	expression tag
Gly 1244	-	expression tag
Pro 1245	-	expression tag
Gly 1246	-	expression tag
His 1247	-	expression tag
His 1248	-	expression tag
His 1249	-	expression tag
His 1250	-	expression tag
His 1251	-	expression tag
His 1252	-	expression tag
His 1253	-	expression tag
His 1254	-	expression tag
Gly 1255	-	expression tag
Ser 1256	-	expression tag
Ala 1257	-	expression tag
Trp 1258	-	expression tag
Ser 1259	-	expression tag
His 1260	-	expression tag
Pro 1261	-	expression tag
Gln 1262	-	expression tag
Phe 1263	-	expression tag
Glu 1264	-	expression tag
Lys 1265	-	expression tag
Gly 1266	-	expression tag
Gly 1267	-	expression tag
Gly 1268	-	expression tag
Ser 1269	-	expression tag
Gly 1270	-	expression tag
Gly 1271	-	expression tag
Gly 1272	-	expression tag
Ser 1273	-	expression tag
Gly 1274	-	expression tag
Gly 1275	-	expression tag
Ser 1276	-	expression tag
Ala 1277	-	expression tag
Trp 1278	-	expression tag
Ser 1279	-	expression tag
His 1280	-	expression tag
Pro 1281	-	expression tag
Gln 1282	-	expression tag
Phe 1283	-	expression tag
Glu 1284	-	expression tag
Lys 1285	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	190670.7
All*	Total formula weight	190670.7

*Water molecules are not included.