7XU1

Structure of SARS-CoV-2 Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Locked-122 Conformation

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	C, B, A	Spike glycoprotein	polymer	1247	138305.0	3	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601) In PDB	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein
2	D, E, F, G, H...	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	13	In PDB GlyTouCan (G42666HT)
3	C, A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	37	Chemie (NAG)
4	C, A, B	BILIVERDINE IX ALPHA	non-polymer		582.6	3	Chemie (BLA)
5	A, C	LINOLEIC ACID	non-polymer		280.4	3	Chemie (EIC)

Sequence modifications

C, B, A: 14 - 1211 (UniProt: P0DTC2)

PDB	External Database	Details
Glu 10	-	expression tag
Thr 11	-	expression tag
Gly 12	-	expression tag
Thr 13	-	expression tag
Cys 427	Asp 427	engineered mutation
-	Pro 681	deletion
-	Arg 682	deletion
-	Arg 683	deletion
-	Ala 684	deletion
Cys 987	Val 987	engineered mutation
Gly 1212	-	expression tag
Ser 1213	-	expression tag
Gly 1214	-	expression tag
Arg 1215	-	expression tag
Glu 1216	-	expression tag
Asn 1217	-	expression tag
Leu 1218	-	expression tag
Tyr 1219	-	expression tag
Phe 1220	-	expression tag
Gln 1221	-	expression tag
Gly 1222	-	expression tag
Gly 1223	-	expression tag
Gly 1224	-	expression tag
Gly 1225	-	expression tag
Ser 1226	-	expression tag
Gly 1227	-	expression tag
Tyr 1228	-	expression tag
Ile 1229	-	expression tag
Pro 1230	-	expression tag
Glu 1231	-	expression tag
Ala 1232	-	expression tag
Pro 1233	-	expression tag
Arg 1234	-	expression tag
Asp 1235	-	expression tag
Gly 1236	-	expression tag
Gln 1237	-	expression tag
Ala 1238	-	expression tag
Tyr 1239	-	expression tag
Val 1240	-	expression tag
Arg 1241	-	expression tag
Lys 1242	-	expression tag
Asp 1243	-	expression tag
Gly 1244	-	expression tag
Glu 1245	-	expression tag
Trp 1246	-	expression tag
Val 1247	-	expression tag
Leu 1248	-	expression tag
Leu 1249	-	expression tag
Ser 1250	-	expression tag
Thr 1251	-	expression tag
Phe 1252	-	expression tag
Leu 1253	-	expression tag
Gly 1254	-	expression tag
His 1255	-	expression tag
His 1256	-	expression tag
His 1257	-	expression tag
His 1258	-	expression tag
His 1259	-	expression tag
His 1260	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	414914.9
Branched	Number of molecules	13
	Total formula weight	5517.2
Non-Polymers*	Number of molecules	43
	Total formula weight	10774.0
All*	Total formula weight	431206.1

*Water molecules are not included.