7SOA

SARS-CoV-2 S NTD B.1.617.2 delta variant + S2L20 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 (L)	S2L20 Fab light chain	polymer	107	11829.1	1		Homo sapiens
2	B (H)	S2L20 Fab heavy chain	polymer	121	13454.0	1		Homo sapiens
3	C (A)	Spike glycoprotein	polymer	1275	141522.9	1	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)	S glycoprotein,E2,Peplomer protein
4	D (B)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
5	E, F, G, H (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG)

Sequence modifications

A: 1 - 1206 (UniProt: P0DTC2)

PDB	External Database	Details
Arg 19	Thr 19	variant
Asp 142	Gly 142	variant
-	Glu 156	deletion
-	Phe 157	deletion
Gly 156	Arg 158	variant
Arg 450	Leu 452	variant
Lys 476	Thr 478	variant
Gly 612	Asp 614	variant
Arg 679	Pro 681	variant
Cys 705	Tyr 707	variant
Pro 815	Phe 817	variant
Cys 881	Thr 883	variant
Pro 890	Ala 892	variant
Pro 897	Ala 899	variant
Pro 940	Ala 942	variant
Asn 948	Asp 950	variant
Pro 985	Val 987	variant
Gly 1207	-	expression tag
Ser 1208	-	expression tag
Gly 1209	-	expression tag
Tyr 1210	-	expression tag
Ile 1211	-	expression tag
Pro 1212	-	expression tag
Glu 1213	-	expression tag
Ala 1214	-	expression tag
Pro 1215	-	expression tag
Arg 1216	-	expression tag
Asp 1217	-	expression tag
Gly 1218	-	expression tag
Gln 1219	-	expression tag
Ala 1220	-	expression tag
Tyr 1221	-	expression tag
Val 1222	-	expression tag
Arg 1223	-	expression tag
Lys 1224	-	expression tag
Asp 1225	-	expression tag
Gly 1226	-	expression tag
Glu 1227	-	expression tag
Trp 1228	-	expression tag
Val 1229	-	expression tag
Leu 1230	-	expression tag
Leu 1231	-	expression tag
Ser 1232	-	expression tag
Thr 1233	-	expression tag
Phe 1234	-	expression tag
Leu 1235	-	expression tag
Gly 1236	-	expression tag
Arg 1237	-	expression tag
Ser 1238	-	expression tag
Leu 1239	-	expression tag
Glu 1240	-	expression tag
Val 1241	-	expression tag
Leu 1242	-	expression tag
Phe 1243	-	expression tag
Gln 1244	-	expression tag
Gly 1245	-	expression tag
Pro 1246	-	expression tag
Gly 1247	-	expression tag
Ser 1248	-	expression tag
Gly 1249	-	expression tag
Gly 1250	-	expression tag
Leu 1251	-	expression tag
Asn 1252	-	expression tag
Asp 1253	-	expression tag
Ile 1254	-	expression tag
Phe 1255	-	expression tag
Glu 1256	-	expression tag
Ala 1257	-	expression tag
Gln 1258	-	expression tag
Lys 1259	-	expression tag
Ile 1260	-	expression tag
Glu 1261	-	expression tag
Trp 1262	-	expression tag
His 1263	-	expression tag
Glu 1264	-	expression tag
Gly 1265	-	expression tag
Ser 1266	-	expression tag
Gly 1267	-	expression tag
His 1268	-	expression tag
His 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

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	166806.0
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	4
	Total formula weight	884.8
All*	Total formula weight	168115.2

*Water molecules are not included.