8XYO

Cryo-EM structure of CX1 receptor binding domain in complex with human ACE2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Angiotensin-converting enzyme 2	polymer	603	69982.6	1	UniProt (Q9BYF1) Pfam (PF01401)	Homo sapiens (human)	ACE-related carboxypeptidase,Angiotensin-converting enzyme homolog,ACEH,Metalloprotease MPROT15
2	B (B)	Spike glycoprotein	polymer	1258	139396.5	1	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein
3	C, D, E, F, G... (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	7	Chemie (NAG)
4	I (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)

Sequence modifications

A: 19 - 615 (UniProt: Q9BYF1)

PDB	External Database	Details
His 616	-	expression tag
His 617	-	expression tag
His 618	-	expression tag
His 619	-	expression tag
His 620	-	expression tag
His 621	-	expression tag

B: 1 - 1210 (UniProt: P0DTC2)

PDB	External Database	Details
Ser 32	Phe 32	conflict
Leu 50	Ser 50	conflict
Leu 68	Ile 68	conflict
Ile 76	Thr 76	variant
Ile 177	Met 177	conflict
Pro 218	Gln 218	conflict
Gln 324	Glu 324	conflict
Thr 372	Ala 372	conflict
Leu 486	Phe 486	variant
His 498	Gln 498	variant
Tyr 501	Asn 501	variant
Asn 519	His 519	variant
Ile 534	Val 534	variant
Gln 554	Glu 554	conflict
Ala 604	Thr 604	conflict
-	Pro 681	deletion
-	Arg 682	deletion
-	Arg 683	deletion
-	Ala 684	deletion
Pro 813	Phe 817	engineered mutation
Pro 888	Ala 892	engineered mutation
Pro 895	Ala 899	engineered mutation
Pro 938	Ala 942	engineered mutation
Pro 982	Lys 986	engineered mutation
Pro 983	Val 987	engineered mutation
Ile 1064	Val 1068	conflict
Ser 1066	Ala 1070	conflict
Ile 1100	Val 1104	conflict
Ile 1160	Val 1164	conflict
Arg 1187	Lys 1191	conflict
Gly 1211	-	expression tag
Gly 1212	-	expression tag
Gly 1213	-	expression tag
Ser 1214	-	expression tag
Gly 1215	-	expression tag
Gly 1216	-	expression tag
Gly 1217	-	expression tag
Ser 1218	-	expression tag
Gly 1219	-	expression tag
Tyr 1220	-	expression tag
Ile 1221	-	expression tag
Pro 1222	-	expression tag
Glu 1223	-	expression tag
Ala 1224	-	expression tag
Pro 1225	-	expression tag
Arg 1226	-	expression tag
Asp 1227	-	expression tag
Gly 1228	-	expression tag
Gln 1229	-	expression tag
Ala 1230	-	expression tag
Tyr 1231	-	expression tag
Val 1232	-	expression tag
Arg 1233	-	expression tag
Lys 1234	-	expression tag
Asp 1235	-	expression tag
Gly 1236	-	expression tag
Glu 1237	-	expression tag
Trp 1238	-	expression tag
Val 1239	-	expression tag
Leu 1240	-	expression tag
Leu 1241	-	expression tag
Ser 1242	-	expression tag
Thr 1243	-	expression tag
Phe 1244	-	expression tag
Leu 1245	-	expression tag
Gly 1246	-	expression tag
Gly 1247	-	expression tag
Gly 1248	-	expression tag
Ser 1249	-	expression tag
Ala 1250	-	expression tag
Trp 1251	-	expression tag
Ser 1252	-	expression tag
His 1253	-	expression tag
Pro 1254	-	expression tag
Gln 1255	-	expression tag
Phe 1256	-	expression tag
Glu 1257	-	expression tag
Lys 1258	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	209379.1
Non-Polymers*	Number of molecules	8
	Total formula weight	1613.9
All*	Total formula weight	210992.9

*Water molecules are not included.