9B2V

SARS CoV-2 Spike protein Ectodomain with internal tag, 1RBD-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 (A, B, C)	Spike glycoprotein	polymer	1275	140679.7	3	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2 2019-nCoV COVID-19 virus)	S glycoprotein,E2,Peplomer protein
2	D (a)	alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	1	In PDB GlyTouCan (G81315DD)
3	DA, E, F, J, L... (d, D, E, I, K...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	10	In PDB GlyTouCan (G42666HT)
4	AA, BA, CA, G, I... (X, Y, Z, F, H...)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	14	In PDB GlyTouCan (G15407YE)
5	H (G)	alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	1	In PDB GlyTouCan (G04854NQ)
6	V (S)	alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		367.3	1	In PDB GlyTouCan (G86851RC)
7	EA, FA, GA, HA, IA... (A, B, C)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	18	Chemie (NAG)

Sequence modifications

A, B, C: -38 - 1209 (UniProt: P0DTC2)

PDB	External Database	Details
Ser -20	-	insertion
Ala -19	-	insertion
Trp -18	-	insertion
Ser -17	-	insertion
His -16	-	insertion
Pro -15	-	insertion
Gln -14	-	insertion
Phe -13	-	insertion
Glu -12	-	insertion
Lys -11	-	insertion
Gly -10	-	insertion
Gly -9	-	insertion
Gly -8	-	insertion
Ser -7	-	insertion
Gly -6	-	insertion
Gly -5	-	insertion
Gly -4	-	insertion
Ser -3	-	insertion
Gly -2	-	insertion
Gly -1	-	insertion
Ser 0	-	insertion
Ser 1	-	insertion
Ala 2	-	insertion
Trp 3	-	insertion
Ser 4	-	insertion
His 5	-	insertion
Pro 6	-	insertion
Gln 7	-	insertion
Phe 8	-	insertion
Glu 9	-	insertion
Lys 10	-	insertion
Ser 11	-	insertion
Ala 12	-	insertion
Leu 13	-	insertion
Val 14	-	insertion
Pro 15	-	insertion
Arg 16	-	insertion
Gly 17	-	insertion
Ser 18	-	insertion
Gly 614	Asp 614	variant
Gly 682	Arg 682	engineered mutation
Ser 683	Arg 683	engineered mutation
Ser 685	Arg 685	engineered mutation
Pro 986	Lys 986	engineered mutation
Pro 987	Val 987	engineered mutation
Gly 1210	-	expression tag
Ser 1211	-	expression tag
Gly 1212	-	expression tag
Tyr 1213	-	expression tag
Ile 1214	-	expression tag
Pro 1215	-	expression tag
Glu 1216	-	expression tag
Ala 1217	-	expression tag
Pro 1218	-	expression tag
Arg 1219	-	expression tag
Asp 1220	-	expression tag
Gly 1221	-	expression tag
Gln 1222	-	expression tag
Ala 1223	-	expression tag
Tyr 1224	-	expression tag
Val 1225	-	expression tag
Arg 1226	-	expression tag
Lys 1227	-	expression tag
Asp 1228	-	expression tag
Gly 1229	-	expression tag
Glu 1230	-	expression tag
Trp 1231	-	expression tag
Val 1232	-	expression tag
Leu 1233	-	expression tag
Leu 1234	-	expression tag
Ser 1235	-	expression tag
Thr 1236	-	expression tag
Phe 1237	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	422039.0
Branched	Number of molecules	27
	Total formula weight	14320.3
Non-Polymers*	Number of molecules	18
	Total formula weight	3981.7
All*	Total formula weight	440341.0

*Water molecules are not included.