7N8H

SARS-CoV-2 S (B.1.429 / epsilon variant) + S2M11 + S2L20 Global Refinement

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, F, K (A, F, K)	Spike glycoprotein	polymer	1277	141484.6	3	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
2	B, G, L (D, G, L)	S2M11 Fab Light Chain variable region	polymer	104	11208.5	3		Homo sapiens (Human)
3	C, H, M (E, H, M)	S2M11 Fab Heavy Chain variable region	polymer	122	13651.2	3		Homo sapiens (Human)
4	D, I, N (B, I, N)	S2L20 Fab Light Chain variable region	polymer	106	11700.0	3		Homo sapiens (Human)
5	E, J, O (C, J, O)	S2L20 Fab Heavy Chain variable region	polymer	121	13454.0	3		Homo sapiens (Human)
6	P, S, V (P, S, V)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	3	In PDB GlyTouCan (G21290RB)
7	Q, R, T, U, W... (Q, R, T, U, W...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	6	In PDB GlyTouCan (G42666HT)
8	AA, AB, BA, BB, CA... (A, K, F)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	39	Chemie (NAG)
9	LB, MB, NB, OB, PB... (A, D, E, F, G...)	water	water		18.0	771	Chemie (HOH)

Sequence modifications

A, F, K: 1 - 1208 (UniProt: P0DTC2)

PDB	External Database	Details
Ile 13	Ser 13	conflict
Cys 152	Trp 152	conflict
Arg 452	Leu 452	conflict
Gly 682	Arg 682	conflict
Ser 683	Arg 683	conflict
Ser 685	Arg 685	conflict
Pro 817	Phe 817	conflict
Pro 892	Ala 892	conflict
Pro 899	Ala 899	conflict
Pro 942	Ala 942	conflict
Pro 986	Lys 986	conflict
Pro 987	Val 987	conflict
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	15
	Total formula weight	574494.6
Branched	Number of molecules	9
	Total formula weight	4258.0
Non-Polymers*	Number of molecules	39
	Total formula weight	8627.1
All*	Total formula weight	587379.8

*Water molecules are not included.