7V8B

Local refinement of SARS-CoV-2 S-Delta variant (B.1.617.2) RBD and Angiotensin-converting enzyme 2 (ACE2) ectodomain

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Spike glycoprotein	polymer	1281	142047.2	1	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)	S glycoprotein,E2,Peplomer protein
2	B (F)	Angiotensin-converting enzyme 2,Angiotensin-converting enzyme 2 (ACE2) ectodomain	polymer	861	98273.5	1	UniProt (Q9BYF1) Pfam (PF01401) Pfam (PF01353) UniProt (by SIFTS) (A0A059PIQ0)	Homo sapiens (Human)	Angiotensin-converting enzyme homolog,ACEH,Angiotensin-converting enzyme-related carboxypeptidase,ACE-related carboxypeptidase,Metalloprotease MPROT15
3	C (B)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G15407YE)
4	D, E, F, G (C, D, E, G)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	4	In PDB GlyTouCan (G42666HT)
5	H, I, J (A, F)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)

Sequence modifications

A: 3 - 1208 (UniProt: P0DTC2)

PDB	External Database	Details
Arg 21	Thr 19	variant
Asp 144	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	engineered mutation
Gly 682	Arg 682	engineered mutation
Ser 683	Arg 683	engineered mutation
Ser 685	Arg 685	engineered mutation
Asn 950	Asp 950	variant
Pro 986	Lys 986	engineered mutation
Pro 987	Val 987	engineered mutation
Glu 1209	-	expression tag
Phe 1210	-	expression tag
Gly 1211	-	expression tag
Ser 1212	-	expression tag
Gly 1213	-	expression tag
Gly 1214	-	expression tag
Tyr 1215	-	expression tag
Ile 1216	-	expression tag
Pro 1217	-	expression tag
Glu 1218	-	expression tag
Ala 1219	-	expression tag
Pro 1220	-	expression tag
Arg 1221	-	expression tag
Asp 1222	-	expression tag
Gly 1223	-	expression tag
Gln 1224	-	expression tag
Ala 1225	-	expression tag
Tyr 1226	-	expression tag
Val 1227	-	expression tag
Arg 1228	-	expression tag
Lys 1229	-	expression tag
Asp 1230	-	expression tag
Gly 1231	-	expression tag
Glu 1232	-	expression tag
Trp 1233	-	expression tag
Val 1234	-	expression tag
Leu 1235	-	expression tag
Leu 1236	-	expression tag
Ser 1237	-	expression tag
Thr 1238	-	expression tag
Phe 1239	-	expression tag
Leu 1240	-	expression tag
Lys 1241	-	expression tag
Gly 1242	-	expression tag
Gln 1243	-	expression tag
Asp 1244	-	expression tag
Asn 1245	-	expression tag
Ser 1246	-	expression tag
Ala 1247	-	expression tag
Asp 1248	-	expression tag
Ile 1249	-	expression tag
Gln 1250	-	expression tag
His 1251	-	expression tag
Ser 1252	-	expression tag
Gly 1253	-	expression tag
Arg 1254	-	expression tag
Pro 1255	-	expression tag
Leu 1256	-	expression tag
Glu 1257	-	expression tag
Ser 1258	-	expression tag
Arg 1259	-	expression tag
Gly 1260	-	expression tag
Pro 1261	-	expression tag
Phe 1262	-	expression tag
Glu 1263	-	expression tag
Gln 1264	-	expression tag
Lys 1265	-	expression tag
Leu 1266	-	expression tag
Ile 1267	-	expression tag
Ser 1268	-	expression tag
Glu 1269	-	expression tag
Glu 1270	-	expression tag
Asp 1271	-	expression tag
Leu 1272	-	expression tag
Asn 1273	-	expression tag
Met 1274	-	expression tag
His 1275	-	expression tag
Thr 1276	-	expression tag
Gly 1277	-	expression tag
His 1278	-	expression tag
His 1279	-	expression tag
His 1280	-	expression tag
His 1281	-	expression tag
His 1282	-	expression tag
His 1283	-	expression tag

F: 1 - 615 (UniProt: Q9BYF1)
F: 616 - 861 (PDB: 7V8B)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	240320.7
Branched	Number of molecules	5
	Total formula weight	2284.1
Non-Polymers*	Number of molecules	3
	Total formula weight	663.6
All*	Total formula weight	243268.5

*Water molecules are not included.