8VCR

SARS-CoV-2 Spike S2 bound to Fab 54043-5

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, H, I (A, B, C)	Spike protein S2	polymer	597	65948.5	3	UniProt (P0DTC2) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2
2	B, C, F (D, E, H)	54043-5 Fab Heavy Chain	polymer	233	25130.2	3		Homo sapiens
3	D, E, G (F, G, L)	54043-5 Fab Light Chain	polymer	214	23294.9	3		Homo sapiens
4	J, K, L (I, J, K)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	3	In PDB GlyTouCan (G42666HT)
5	AA, M, N, O, P... (C, A, D, E, H...)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	15	Chemie (NAG)

Sequence modifications

A, B, C: 697 - 1208 (UniProt: P0DTC2)

PDB	External Database	Details
Met 671	-	initiating methionine
Arg 672	-	expression tag
Pro 673	-	expression tag
Thr 674	-	expression tag
Trp 675	-	expression tag
Ala 676	-	expression tag
Trp 677	-	expression tag
Trp 678	-	expression tag
Leu 679	-	expression tag
Phe 680	-	expression tag
Leu 681	-	expression tag
Val 682	-	expression tag
Leu 683	-	expression tag
Leu 684	-	expression tag
Leu 685	-	expression tag
Ala 686	-	expression tag
Leu 687	-	expression tag
Trp 688	-	expression tag
Ala 689	-	expression tag
Pro 690	-	expression tag
Ala 691	-	expression tag
Arg 692	-	expression tag
Gly 693	-	expression tag
Ala 694	-	expression tag
Ser 695	-	expression tag
Gln 696	-	expression tag
Cys 704	Ser 704	engineered mutation
Cys 790	Lys 790	engineered mutation
Pro 817	Phe 817	engineered mutation
Pro 892	Ala 892	engineered mutation
Pro 899	Ala 899	engineered mutation
Pro 942	Ala 942	engineered mutation
Glu 957	Gln 957	engineered mutation
Pro 986	Lys 986	engineered mutation
Pro 987	Val 987	engineered mutation
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
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
Ser 1258	-	expression tag
Ala 1259	-	expression tag
Trp 1260	-	expression tag
Ser 1261	-	expression tag
His 1262	-	expression tag
Pro 1263	-	expression tag
Gln 1264	-	expression tag
Phe 1265	-	expression tag
Glu 1266	-	expression tag
Lys 1267	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	9
	Total formula weight	343120.7
Branched	Number of molecules	3
	Total formula weight	1273.2
Non-Polymers*	Number of molecules	15
	Total formula weight	3318.1
All*	Total formula weight	347712.0

*Water molecules are not included.