7SOC

SARS-CoV-2 S RBD B.1.617.1 kappa variant S309 Local Refinement

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Spike glycoprotein	polymer	1277	141867.3	1	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601) In PDB	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)	S glycoprotein,E2,Peplomer protein
2	H	S309 Fab heavy chain	polymer	129	14163.7	1		Homo sapiens
3	L	S309 Fab light chain	polymer	104	11073.2	1		Homo sapiens
4	B	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]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		1057.0	1	In PDB GlyTouCan (G82348BZ)
5	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)

Sequence modifications

A: 1 - 1208 (UniProt: P0DTC2)

PDB	External Database	Details
Ile 95	Thr 95	variant
Asp 142	Gly 142	variant
Lys 154	Glu 154	variant
Cys 383	Ser 383	variant
Arg 452	Leu 452	variant
Gln 484	Glu 484	variant
Gly 614	Asp 614	variant
Arg 681	Pro 681	variant
Pro 817	Phe 817	variant
Pro 892	Ala 892	variant
Pro 899	Ala 899	variant
Pro 942	Ala 942	variant
Cys 985	Asp 985	variant
Pro 986	Lys 986	variant
Pro 987	Val 987	variant
His 1071	Gln 1071	variant
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
Gly 1247	-	expression tag
Pro 1248	-	expression tag
Gly 1249	-	expression tag
Ser 1250	-	expression tag
Gly 1251	-	expression tag
Gly 1252	-	expression tag
Leu 1253	-	expression tag
Asn 1254	-	expression tag
Asp 1255	-	expression tag
Ile 1256	-	expression tag
Phe 1257	-	expression tag
Glu 1258	-	expression tag
Ala 1259	-	expression tag
Gln 1260	-	expression tag
Lys 1261	-	expression tag
Ile 1262	-	expression tag
Glu 1263	-	expression tag
Trp 1264	-	expression tag
His 1265	-	expression tag
Glu 1266	-	expression tag
Gly 1267	-	expression tag
Ser 1268	-	expression tag
Gly 1269	-	expression tag
His 1270	-	expression tag
His 1271	-	expression tag
His 1272	-	expression tag
His 1273	-	expression tag
His 1274	-	expression tag
His 1275	-	expression tag
His 1276	-	expression tag
His 1277	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	167104.2
Branched	Number of molecules	1
	Total formula weight	1057.0
Non-Polymers*	Number of molecules	1
	Total formula weight	221.2
All*	Total formula weight	168382.4

*Water molecules are not included.