9LS3

S-ECD of SARS-CoV-2 Delta variant in complex with Fab854

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	1268	140613.5	3	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein
2	D, F, H (D, F, H)	Heavy chain of Fab854	polymer	219	23584.3	3		Homo sapiens
3	E, G, I (E, G, I)	Light chain of Fab854	polymer	220	24274.0	3		Homo sapiens
4	AA, BA, CA, DA, J... (a, b, c, d, J...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	21	In PDB GlyTouCan (G42666HT)
5	EA, FA, GA, HA, IA... (A, B, C)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	12	Chemie (NAG)

Sequence modifications

A, B, C: 1 - 1208 (UniProt: P0DTC2)

PDB	External Database	Details
Arg 19	Thr 19	variant
Asp 142	Gly 142	variant
Gly 158	Glu 156	variant
-	Phe 157	deletion
-	Arg 158	deletion
Arg 452	Leu 452	variant
Lys 478	Thr 478	variant
Gly 614	Asp 614	variant
Arg 681	Pro 681	variant
Gly 682	Arg 682	conflict
Ser 683	Arg 683	conflict
Ser 685	Arg 685	conflict
Pro 817	Phe 817	conflict
Pro 892	Ala 892	conflict
Pro 899	Ala 899	conflict
Pro 942	Ala 942	conflict
Asn 950	Asp 950	variant
Pro 986	Lys 986	variant
Pro 987	Val 987	variant
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
Leu 1238	-	expression tag
Glu 1239	-	expression tag
Gly 1240	-	expression tag
Ser 1241	-	expression tag
Asp 1242	-	expression tag
Glu 1243	-	expression tag
Val 1244	-	expression tag
Asp 1245	-	expression tag
Ala 1246	-	expression tag
Gly 1247	-	expression tag
Ser 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
His 1258	-	expression tag
Gly 1259	-	expression tag
Ser 1260	-	expression tag
Val 1261	-	expression tag
Glu 1262	-	expression tag
Asp 1263	-	expression tag
Tyr 1264	-	expression tag
Lys 1265	-	expression tag
Asp 1266	-	expression tag
Asp 1267	-	expression tag
Asp 1268	-	expression tag
Asp 1269	-	expression tag
Lys 1270	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	9
	Total formula weight	565415.2
Branched	Number of molecules	21
	Total formula weight	8912.4
Non-Polymers*	Number of molecules	12
	Total formula weight	2654.5
All*	Total formula weight	576982.1

*Water molecules are not included.