7DF4

SARS-CoV-2 S-ACE2 complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Angiotensin-converting enzyme 2	polymer	625	72396.5	1	UniProt (Q9BYF1) Pfam (PF01401) In PDB	Homo sapiens (Human)	Angiotensin-converting enzyme homolog,ACEH,Angiotensin-converting enzyme-related carboxypeptidase,ACE-related carboxypeptidase,Metalloprotease MPROT15
2	C, B, D	Spike glycoprotein	polymer	1261	140055.9	3	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601) In PDB	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)	S glycoprotein,E2,Peplomer protein
3	E, F, G, H, I...	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	18	In PDB GlyTouCan (G42666HT)
4	C, D, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	36	Chemie (NAG)

Sequence modifications

A: 17 - 615 (UniProt: Q9BYF1)

PDB	External Database	Details
Met 0	-	initiating methionine
His 1	-	expression tag
Ser 2	-	expression tag
Ser 3	-	expression tag
Ala 4	-	expression tag
Leu 5	-	expression tag
Leu 6	-	expression tag
Cys 7	-	expression tag
Cys 8	-	expression tag
Leu 9	-	expression tag
Val 10	-	expression tag
Leu 11	-	expression tag
Leu 12	-	expression tag
Thr 13	-	expression tag
Gly 14	-	expression tag
Val 15	-	expression tag
Arg 16	-	expression tag
His 616	-	expression tag
His 617	-	expression tag
His 618	-	expression tag
His 619	-	expression tag
His 620	-	expression tag
His 621	-	expression tag
His 622	-	expression tag
His 623	-	expression tag
His 624	-	expression tag

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

PDB	External Database	Details
Gly 682	Arg 682	engineered mutation
Ser 683	Arg 683	engineered mutation
Ser 685	Arg 685	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
Glu 1238	-	expression tag
Asn 1239	-	expression tag
Leu 1240	-	expression tag
Tyr 1241	-	expression tag
Phe 1242	-	expression tag
Gln 1243	-	expression tag
Gly 1244	-	expression tag
Asp 1245	-	expression tag
Tyr 1246	-	expression tag
Lys 1247	-	expression tag
Asp 1248	-	expression tag
Asp 1249	-	expression tag
Asp 1250	-	expression tag
Asp 1251	-	expression tag
Lys 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
His 1259	-	expression tag
His 1260	-	expression tag
His 1261	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	492564.2
Branched	Number of molecules	18
	Total formula weight	7639.2
Non-Polymers*	Number of molecules	36
	Total formula weight	7963.5
All*	Total formula weight	508166.9

*Water molecules are not included.