7KJ4

SARS-CoV-2 Spike Glycoprotein with three ACE2 Bound

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	1234	136559.9	3	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)	S glycoprotein,E2,Peplomer protein
2	D, E, F (D, E, F)	Angiotensin-converting enzyme 2	polymer	615	71024.7	3	UniProt (Q9BYF1) Pfam (PF01401)	Homo sapiens (Human)	Angiotensin-converting enzyme homolog,ACEH,Angiotensin-converting enzyme-related carboxypeptidase,ACE-related carboxypeptidase,Metalloprotease MPROT15
3	AA, BA, CA, DA, G... (a, b, c, d, G...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	24	In PDB GlyTouCan (G42666HT)
4	AB, BB, CB, DB, EA... (B, A, C, D, E...)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	42	Chemie (NAG)

Sequence modifications

A, B, C: 14 - 1208 (UniProt: P0DTC2)

PDB	External Database	Details
Gly 682	Arg 682	conflict
Gly 683	Arg 683	conflict
Ser 684	Ala 684	conflict
Gly 685	Arg 685	conflict
Pro 986	Lys 986	engineered mutation
Pro 987	Val 987	engineered mutation
Gly 1209	-	expression tag
Ser 1210	-	expression tag
Gly 1211	-	expression tag
Gly 1212	-	expression tag
Tyr 1213	-	expression tag
Ile 1214	-	expression tag
Pro 1215	-	expression tag
Glu 1216	-	expression tag
Ala 1217	-	expression tag
Pro 1218	-	expression tag
Arg 1219	-	expression tag
Asp 1220	-	expression tag
Gly 1221	-	expression tag
Gln 1222	-	expression tag
Ala 1223	-	expression tag
Tyr 1224	-	expression tag
Val 1225	-	expression tag
Arg 1226	-	expression tag
Lys 1227	-	expression tag
Asp 1228	-	expression tag
Gly 1229	-	expression tag
Glu 1230	-	expression tag
Trp 1231	-	expression tag
Val 1232	-	expression tag
Leu 1233	-	expression tag
Leu 1234	-	expression tag
Ser 1235	-	expression tag
Thr 1236	-	expression tag
Phe 1237	-	expression tag
Leu 1238	-	expression tag
Gly 1239	-	expression tag
Gly 1240	-	expression tag
Ser 1241	-	expression tag
His 1242	-	expression tag
His 1243	-	expression tag
His 1244	-	expression tag
His 1245	-	expression tag
His 1246	-	expression tag
His 1247	-	expression tag

D, E, F: 11 - 615 (UniProt: Q9BYF1)

PDB	External Database	Details
Ser 616	-	expression tag
Gly 617	-	expression tag
Gly 618	-	expression tag
Ser 619	-	expression tag
His 620	-	expression tag
His 621	-	expression tag
His 622	-	expression tag
His 623	-	expression tag
His 624	-	expression tag
His 625	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	622753.9
Branched	Number of molecules	24
	Total formula weight	10185.6
Non-Polymers*	Number of molecules	42
	Total formula weight	9290.7
All*	Total formula weight	642230.3

*Water molecules are not included.