7A95

SARS-CoV-2 Spike Glycoprotein with 1 ACE2 Bound and 1 RBD Erect in Clockwise Direction

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	1287	142410.1	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
2	D	Angiotensin-converting enzyme 2	polymer	654	75337.4	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

Sequence modifications

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

PDB	External Database	Details
Met -30	-	initiating methionine
Gly -29	-	expression tag
Ile -28	-	expression tag
Leu -27	-	expression tag
Pro -26	-	expression tag
Ser -25	-	expression tag
Pro -24	-	expression tag
Gly -23	-	expression tag
Met -22	-	expression tag
Pro -21	-	expression tag
Ala -20	-	expression tag
Leu -19	-	expression tag
Leu -18	-	expression tag
Ser -17	-	expression tag
Leu -16	-	expression tag
Val -15	-	expression tag
Ser -14	-	expression tag
Leu -13	-	expression tag
Leu -12	-	expression tag
Ser -11	-	expression tag
Val -10	-	expression tag
Leu -9	-	expression tag
Leu -8	-	expression tag
Met -7	-	expression tag
Gly -6	-	expression tag
Cys -5	-	expression tag
Val -4	-	expression tag
Ala -3	-	expression tag
Glu -2	-	expression tag
Thr -1	-	expression tag
Gly 0	-	expression tag
Pro 986	Lys 986	engineered mutation
Pro 987	Val 987	engineered mutation
Ser 1209	-	expression tag
Gly 1210	-	expression tag
Arg 1211	-	expression tag
Glu 1212	-	expression tag
Asn 1213	-	expression tag
Leu 1214	-	expression tag
Tyr 1215	-	expression tag
Phe 1216	-	expression tag
Gln 1217	-	expression tag
Gly 1218	-	expression tag
Gly 1219	-	expression tag
Gly 1220	-	expression tag
Gly 1221	-	expression tag
Ser 1222	-	expression tag
Gly 1223	-	expression tag
Tyr 1224	-	expression tag
Ile 1225	-	expression tag
Pro 1226	-	expression tag
Glu 1227	-	expression tag
Ala 1228	-	expression tag
Pro 1229	-	expression tag
Arg 1230	-	expression tag
Asp 1231	-	expression tag
Gly 1232	-	expression tag
Gln 1233	-	expression tag
Ala 1234	-	expression tag
Tyr 1235	-	expression tag
Val 1236	-	expression tag
Arg 1237	-	expression tag
Lys 1238	-	expression tag
Asp 1239	-	expression tag
Gly 1240	-	expression tag
Glu 1241	-	expression tag
Trp 1242	-	expression tag
Val 1243	-	expression tag
Leu 1244	-	expression tag
Leu 1245	-	expression tag
Ser 1246	-	expression tag
Thr 1247	-	expression tag
Phe 1248	-	expression tag
Leu 1249	-	expression tag
Gly 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

D: 19 - 615 (UniProt: Q9BYF1)

PDB	External Database	Details
Met -1	-	initiating methionine
Glu 0	-	expression tag
Thr 1	-	expression tag
Asp 2	-	expression tag
Thr 3	-	expression tag
Leu 4	-	expression tag
Leu 5	-	expression tag
Leu 6	-	expression tag
Trp 7	-	expression tag
Val 8	-	expression tag
Leu 9	-	expression tag
Leu 10	-	expression tag
Leu 11	-	expression tag
Trp 12	-	expression tag
Val 13	-	expression tag
Pro 14	-	expression tag
Gly 15	-	expression tag
Ser 16	-	expression tag
Thr 17	-	expression tag
Gly 18	-	expression tag
Asp 616	-	expression tag
Tyr 617	-	expression tag
Lys 618	-	expression tag
Asp 619	-	expression tag
Asp 620	-	expression tag
Asp 621	-	expression tag
Asp 622	-	expression tag
Lys 623	-	expression tag
Trp 624	-	expression tag
Ser 625	-	expression tag
His 626	-	expression tag
Pro 627	-	expression tag
Gln 628	-	expression tag
Phe 629	-	expression tag
Glu 630	-	expression tag
Lys 631	-	expression tag
Gly 632	-	expression tag
Gly 633	-	expression tag
Gly 634	-	expression tag
Ser 635	-	expression tag
Gly 636	-	expression tag
Gly 637	-	expression tag
Gly 638	-	expression tag
Ser 639	-	expression tag
Gly 640	-	expression tag
Gly 641	-	expression tag
Ser 642	-	expression tag
Ser 643	-	expression tag
Ala 644	-	expression tag
Trp 645	-	expression tag
Ser 646	-	expression tag
His 647	-	expression tag
Pro 648	-	expression tag
Gln 649	-	expression tag
Phe 650	-	expression tag
Glu 651	-	expression tag
Lys 652	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	502567.7
All*	Total formula weight	502567.7

*Water molecules are not included.