9UXS

The local refine of 3D reconstruction of the complex formed by SARS-CoV2 BA.1 spike glycoprotein and a single-domain antibody

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	single-domain antibody	polymer	137	15896.7	1		Homo sapiens
2	B (B)	Spike glycoprotein	polymer	1245	138088.2	1	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein

Sequence modifications

B: 17 - 1204 (UniProt: P0DTC2)

PDB	External Database	Details
Val 70	Ala 67	variant
-	His 69	deletion
-	Val 70	deletion
Ile 96	Thr 95	variant
Asp 143	Gly 142	variant
-	Val 143	deletion
-	Tyr 144	deletion
-	Tyr 145	deletion
-	Asn 211	deletion
Ile 209	Leu 212	conflict
Glu 212	-	insertion
Pro 213	-	insertion
Glu 214	-	insertion
Asp 339	Gly 339	variant
Leu 371	Ser 371	variant
Pro 373	Ser 373	variant
Phe 375	Ser 375	variant
Asn 417	Lys 417	variant
Lys 440	Asn 440	variant
Ser 446	Gly 446	variant
Asn 477	Ser 477	variant
Lys 478	Thr 478	variant
Ala 484	Glu 484	variant
Arg 493	Gln 493	variant
Ser 496	Gly 496	variant
Arg 498	Gln 498	variant
Tyr 501	Asn 501	variant
His 505	Tyr 505	variant
Lys 547	Thr 547	variant
Gly 614	Asp 614	variant
Tyr 655	His 655	variant
-	Asn 679	deletion
-	Ser 680	deletion
-	Pro 681	deletion
-	Arg 682	deletion
Lys 679	Arg 683	conflict
Ser 680	Ala 684	conflict
Lys 760	Asn 764	variant
Tyr 792	Asp 796	variant
Pro 813	Phe 817	conflict
Lys 852	Asn 856	variant
Pro 888	Ala 892	conflict
Pro 895	Ala 899	conflict
Pro 938	Ala 942	conflict
His 950	Gln 954	variant
Lys 965	Asn 969	variant
Pro 982	Lys 986	conflict
Pro 983	Val 987	conflict
Gly 1205	-	expression tag
Ser 1206	-	expression tag
Gly 1207	-	expression tag
Tyr 1208	-	expression tag
Ile 1209	-	expression tag
Pro 1210	-	expression tag
Glu 1211	-	expression tag
Ala 1212	-	expression tag
Pro 1213	-	expression tag
Arg 1214	-	expression tag
Asp 1215	-	expression tag
Gly 1216	-	expression tag
Gln 1217	-	expression tag
Ala 1218	-	expression tag
Tyr 1219	-	expression tag
Val 1220	-	expression tag
Arg 1221	-	expression tag
Lys 1222	-	expression tag
Asp 1223	-	expression tag
Gly 1224	-	expression tag
Glu 1225	-	expression tag
Trp 1226	-	expression tag
Val 1227	-	expression tag
Leu 1228	-	expression tag
Leu 1229	-	expression tag
Ser 1230	-	expression tag
Thr 1231	-	expression tag
Phe 1232	-	expression tag
Leu 1233	-	expression tag
Gly 1234	-	expression tag
Arg 1235	-	expression tag
Ser 1236	-	expression tag
Leu 1237	-	expression tag
Glu 1238	-	expression tag
Val 1239	-	expression tag
Leu 1240	-	expression tag
Phe 1241	-	expression tag
Gln 1242	-	expression tag
Gly 1243	-	expression tag
Pro 1244	-	expression tag
Gly 1245	-	expression tag
Gly 1246	-	expression tag
Gly 1247	-	expression tag
Gly 1248	-	expression tag
Gly 1249	-	expression tag
Ser 1250	-	expression tag
Gly 1251	-	expression tag
Gly 1252	-	expression tag
Gly 1253	-	expression tag
Gly 1254	-	expression tag
Ser 1255	-	expression tag
His 1256	-	expression tag
His 1257	-	expression tag
His 1258	-	expression tag
His 1259	-	expression tag
His 1260	-	expression tag
His 1261	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	153984.9
All*	Total formula weight	153984.9

*Water molecules are not included.