9LVS

Cryo-EM structure of the SARS-CoV-2 spike protein in complex with S416

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	141227.4	3	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein
2	AA, BA, CA, D, DA... (a, b, c, D, d...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	45	In PDB GlyTouCan (G42666HT)
3	CB, WA, ZA (C, A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG) PubChem (24139)
4	AB, BB, DB, EB, XA... (B, C, A)	2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid	non-polymer		371.8	6	Chemie (EZO) PubChem (132157920)

Sequence modifications

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

PDB	External Database	Details
Met -24	-	initiating methionine
Leu -23	-	expression tag
Leu -22	-	expression tag
Val -21	-	expression tag
Asn -20	-	expression tag
Gln -19	-	expression tag
Ser -18	-	expression tag
His -17	-	expression tag
Gln -16	-	expression tag
Gly -15	-	expression tag
Phe -14	-	expression tag
Asn -13	-	expression tag
Lys -12	-	expression tag
Glu -11	-	expression tag
His -10	-	expression tag
Thr -9	-	expression tag
Ser -8	-	expression tag
Lys -7	-	expression tag
Met -6	-	expression tag
Val -5	-	expression tag
Ser -4	-	expression tag
Ala -3	-	expression tag
Ile -2	-	expression tag
Val -1	-	expression tag
Leu 0	-	expression tag
Tyr 1	-	expression tag
Val 2	-	expression tag
Leu 3	-	expression tag
Leu 4	-	expression tag
Ala 5	-	expression tag
Ala 6	-	expression tag
Ala 7	-	expression tag
Ala 8	-	expression tag
His 9	-	expression tag
Ser 10	-	expression tag
Ala 11	-	expression tag
Phe 12	-	expression tag
Ala 13	-	expression tag
Gly 682	Arg 682	conflict
Ser 683	Arg 683	conflict
Ser 685	Arg 685	conflict
Pro 986	Lys 986	variant
Pro 987	Val 987	variant
Gly 1212	-	expression tag
Gly 1213	-	expression tag
Ser 1214	-	expression tag
Gly 1215	-	expression tag
Tyr 1216	-	expression tag
Ile 1217	-	expression tag
Pro 1218	-	expression tag
Glu 1219	-	expression tag
Ala 1220	-	expression tag
Pro 1221	-	expression tag
Arg 1222	-	expression tag
Asp 1223	-	expression tag
Gly 1224	-	expression tag
Gln 1225	-	expression tag
Ala 1226	-	expression tag
Tyr 1227	-	expression tag
Val 1228	-	expression tag
Arg 1229	-	expression tag
Lys 1230	-	expression tag
Asp 1231	-	expression tag
Gly 1232	-	expression tag
Glu 1233	-	expression tag
Trp 1234	-	expression tag
Val 1235	-	expression tag
Leu 1236	-	expression tag
Leu 1237	-	expression tag
Ser 1238	-	expression tag
Thr 1239	-	expression tag
Phe 1240	-	expression tag
Leu 1241	-	expression tag
Gly 1242	-	expression tag
His 1243	-	expression tag
His 1244	-	expression tag
His 1245	-	expression tag
His 1246	-	expression tag
His 1247	-	expression tag
His 1248	-	expression tag
His 1249	-	expression tag
His 1250	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	423682.2
Branched	Number of molecules	45
	Total formula weight	19098.0
Non-Polymers*	Number of molecules	9
	Total formula weight	2894.7
All*	Total formula weight	445674.9

*Water molecules are not included.