8P99

SARS-CoV-2 S-protein:D614G mutant in 1-up conformation

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C	Spike protein S1,Spike glycoprotein	polymer	1270	140904.1	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	E, F, G, I, J...	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	10	In PDB GlyTouCan (G42666HT)
3	B, C, A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	24	Chemie (NAG)

Sequence modifications

A, B, C: 15 - 684 (UniProt: P0DTC2)

PDB	External Database	Details
Met -5	-	initiating methionine
Val -4	-	expression tag
Ser -3	-	expression tag
Ala -2	-	expression tag
Ile -1	-	expression tag
Val 0	-	expression tag
Leu 1	-	expression tag
Tyr 2	-	expression tag
Val 3	-	expression tag
Leu 4	-	expression tag
Leu 5	-	expression tag
Ala 6	-	expression tag
Ala 7	-	expression tag
Ala 8	-	expression tag
Ala 9	-	expression tag
His 10	-	expression tag
Ser 11	-	expression tag
Ala 12	-	expression tag
Phe 13	-	expression tag
Ala 14	-	expression tag
Gly 614	Asp 614	engineered mutation

A, B, C: 685 - 1213 (UniProt: P0DTC2)

PDB	External Database	Details
Ala 685	Arg 685	engineered mutation
Pro 986	Lys 986	engineered mutation
Pro 987	Val 987	engineered mutation
Leu 1214	-	expression tag
Val 1215	-	expression tag
Pro 1216	-	expression tag
Arg 1217	-	expression tag
Gly 1218	-	expression tag
Ser 1219	-	expression tag
Gly 1220	-	expression tag
Tyr 1221	-	expression tag
Ile 1222	-	expression tag
Pro 1223	-	expression tag
Glu 1224	-	expression tag
Ala 1225	-	expression tag
Pro 1226	-	expression tag
Arg 1227	-	expression tag
Asp 1228	-	expression tag
Gly 1229	-	expression tag
Gln 1230	-	expression tag
Ala 1231	-	expression tag
Tyr 1232	-	expression tag
Val 1233	-	expression tag
Arg 1234	-	expression tag
Lys 1235	-	expression tag
Asp 1236	-	expression tag
Gly 1237	-	expression tag
Glu 1238	-	expression tag
Trp 1239	-	expression tag
Val 1240	-	expression tag
Phe 1241	-	expression tag
Leu 1242	-	expression tag
Ser 1243	-	expression tag
Thr 1244	-	expression tag
Phe 1245	-	expression tag
Leu 1246	-	expression tag
Ser 1247	-	expression tag
Pro 1248	-	expression tag
His 1249	-	expression tag
His 1250	-	expression tag
His 1251	-	expression tag
His 1252	-	expression tag
His 1253	-	expression tag
His 1254	-	expression tag
His 1255	-	expression tag
His 1256	-	expression tag
His 1257	-	expression tag
Glu 1258	-	expression tag
Gln 1259	-	expression tag
Lys 1260	-	expression tag
Leu 1261	-	expression tag
Ile 1262	-	expression tag
Ser 1263	-	expression tag
Glu 1264	-	expression tag
Glu 1265	-	expression tag
Asp 1266	-	expression tag
Leu 1267	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	422712.3
Branched	Number of molecules	10
	Total formula weight	4244.0
Non-Polymers*	Number of molecules	24
	Total formula weight	5309.0
All*	Total formula weight	432265.3

*Water molecules are not included.