7R4Q

The SARS-CoV-2 spike in complex with the 1.29 neutralizing nanobody

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 glycoprotein	polymer	1264	140113.9	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	D, E	Camel-derived nanobody 1.29	polymer	126	13348.6	2		Camelus dromedarius
3	F, G, H, I, J	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	5	In PDB GlyTouCan (G42666HT)
4	B, A, C	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	33	Chemie (NAG)

Sequence modifications

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

PDB	External Database	Details
Gly 682	Arg 682	variant
Ser 683	Arg 683	variant
Ser 685	Arg 685	variant
Pro 942	Ala 942	variant
Pro 986	Lys 986	engineered mutation
Pro 987	Val 987	engineered mutation
Gly 1209	-	expression tag
Ser 1210	-	expression tag
Gly 1211	-	expression tag
Ser 1212	-	expression tag
Gly 1213	-	expression tag
Tyr 1214	-	expression tag
Ile 1215	-	expression tag
Pro 1216	-	expression tag
Glu 1217	-	expression tag
Ala 1218	-	expression tag
Pro 1219	-	expression tag
Arg 1220	-	expression tag
Asp 1221	-	expression tag
Gly 1222	-	expression tag
Gln 1223	-	expression tag
Ala 1224	-	expression tag
Tyr 1225	-	expression tag
Val 1226	-	expression tag
Arg 1227	-	expression tag
Lys 1228	-	expression tag
Asp 1229	-	expression tag
Gly 1230	-	expression tag
Glu 1231	-	expression tag
Trp 1232	-	expression tag
Val 1233	-	expression tag
Leu 1234	-	expression tag
Leu 1235	-	expression tag
Ser 1236	-	expression tag
Thr 1237	-	expression tag
Phe 1238	-	expression tag
Leu 1239	-	expression tag
Gly 1240	-	expression tag
Thr 1241	-	expression tag
Glu 1242	-	expression tag
Asn 1243	-	expression tag
Leu 1244	-	expression tag
Tyr 1245	-	expression tag
Phe 1246	-	expression tag
Gln 1247	-	expression tag
Gly 1248	-	expression tag
Asp 1249	-	expression tag
Tyr 1250	-	expression tag
Lys 1251	-	expression tag
Asp 1252	-	expression tag
Asp 1253	-	expression tag
Asp 1254	-	expression tag
Asp 1255	-	expression tag
Lys 1256	-	expression tag
Gly 1257	-	expression tag
Ser 1258	-	expression tag
His 1259	-	expression tag
His 1260	-	expression tag
His 1261	-	expression tag
His 1262	-	expression tag
His 1263	-	expression tag
His 1264	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	447038.9
Branched	Number of molecules	5
	Total formula weight	2122.0
Non-Polymers*	Number of molecules	33
	Total formula weight	7299.9
All*	Total formula weight	456460.8

*Water molecules are not included.