7R11

Dissociated S1 domain of Beta Variant SARS-CoV-2 Spike bound to ACE2 (Non-Uniform Refinement)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (D)	Angiotensin-converting enzyme 2	polymer	654	75337.4	1	UniProt (Q9BYF1) Pfam (PF01401)	Homo sapiens (human)	Angiotensin-converting enzyme homolog,ACEH,Angiotensin-converting enzyme-related carboxypeptidase,ACE-related carboxypeptidase,Metalloprotease MPROT15
2	B (A)	Spike glycoprotein	polymer	1284	141864.5	1	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein
3	C, E, F, G, H... (D, A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	7	Chemie (NAG)
4	D (D)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)

Sequence modifications

D: 19 - 613 (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
Ala 614	-	expression tag
Asp 615	-	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

A: 4 - 1208 (UniProt: P0DTC2)

PDB	External Database	Details
Met -27	-	initiating methionine
Gly -26	-	expression tag
Ile -25	-	expression tag
Leu -24	-	expression tag
Pro -23	-	expression tag
Ser -22	-	expression tag
Pro -21	-	expression tag
Gly -20	-	expression tag
Met -19	-	expression tag
Pro -18	-	expression tag
Ala -17	-	expression tag
Leu -16	-	expression tag
Leu -15	-	expression tag
Ser -14	-	expression tag
Leu -13	-	expression tag
Val -12	-	expression tag
Ser -11	-	expression tag
Leu -10	-	expression tag
Leu -9	-	expression tag
Ser -8	-	expression tag
Val -7	-	expression tag
Leu -6	-	expression tag
Leu -5	-	expression tag
Met -4	-	expression tag
Gly -3	-	expression tag
Cys -2	-	expression tag
Val -1	-	expression tag
Ala 0	-	expression tag
Glu 1	-	expression tag
Thr 2	-	expression tag
Gly 3	-	expression tag
Phe 21	Leu 18	variant
Ala 83	Asp 80	variant
Gly 218	Asp 215	variant
-	Leu 241	deletion
-	Leu 242	deletion
-	Ala 243	deletion
Ile 246	Arg 246	variant
Asn 417	Lys 417	variant
Lys 484	Glu 484	variant
Tyr 501	Asn 501	variant
Gly 614	Asp 614	variant
Ser 682	Arg 682	variant
Ser 685	Arg 685	variant
Val 701	Ala 701	variant
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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	217201.9
Non-Polymers*	Number of molecules	8
	Total formula weight	1613.9
All*	Total formula weight	218815.8

*Water molecules are not included.