8XUZ

Structure of SARS-CoV-2 BA.2.86 spike glycoprotein in complex with ACE2 (2-up and 1-down state)

This is a non-PDB format compatible entry.

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	1235	137331.3	3	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)	S glycoprotein,E2,Peplomer protein
2	D (L)	Processed angiotensin-converting enzyme 2	polymer	608	70485.1	1	UniProt (Q9BYF1) Pfam (PF01401)	Homo sapiens (human)
3	E, F, G, H, J... (D, E, F, G, J...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	7	In PDB GlyTouCan (G42666HT)
4	I, N (I, N)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	2	In PDB GlyTouCan (G15407YE)
5	M (M)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		627.6	1	In PDB GlyTouCan (G47362BJ)
6	O (O)	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	1	In PDB GlyTouCan (G22768VO)
7	AA, BA, CA, DA, EA... (B, C, A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	32	Chemie (NAG)

Sequence modifications

A, B, C: 28 - 1208 (UniProt: P0DTC2)

PDB	External Database	Details
Ser 11	-	expression tag
Ser 12	-	expression tag
Gln 13	-	expression tag
Cys 14	-	expression tag
Val 15	-	expression tag
Met 16	-	expression tag
Pro 17	-	expression tag
Leu 18	-	expression tag
Phe 19	-	expression tag
Asn 20	-	expression tag
Leu 21	-	expression tag
Ile 22	-	expression tag
Thr 23	-	expression tag
Thr 24	-	expression tag
Thr 25	-	expression tag
Gln 26	-	expression tag
Ser 27	-	expression tag
Leu 50	Ser 50	variant
-	His 69	deletion
-	Val 70	deletion
Phe 127	Val 127	variant
Asp 142	Gly 142	variant
-	Tyr 144	deletion
Ser 157	Phe 157	variant
Gly 158	Arg 158	variant
-	Asn 211	deletion
Ile 211	Leu 212	variant
Gly 212	Val 213	variant
Phe 215	Leu 216	variant
Asn 244	His 245	variant
Asp 263	Ala 264	variant
Val 331	Ile 332	variant
His 338	Gly 339	variant
Thr 355	Lys 356	variant
Phe 370	Ser 371	variant
Pro 372	Ser 373	variant
Phe 374	Ser 375	variant
Ala 375	Thr 376	variant
Lys 402	Arg 403	variant
Asn 404	Asp 405	variant
Ser 407	Arg 408	variant
Asn 416	Lys 417	variant
Lys 439	Asn 440	variant
His 444	Val 445	variant
Ser 445	Gly 446	variant
Asp 449	Asn 450	variant
Trp 451	Leu 452	variant
Lys 459	Asn 460	variant
Asn 476	Ser 477	variant
Lys 477	Thr 478	variant
Lys 480	Asn 481	variant
-	Val 483	deletion
Lys 482	Glu 484	variant
Pro 484	Phe 486	variant
Arg 496	Gln 498	variant
Tyr 499	Asn 501	variant
His 503	Tyr 505	variant
Lys 552	Glu 554	variant
Val 568	Ala 570	variant
Gly 612	Asp 614	variant
Ser 619	Pro 621	variant
Tyr 653	His 655	variant
Lys 677	Asn 679	variant
Arg 679	Pro 681	variant
Gly 680	Arg 682	engineered mutation
Ser 681	Arg 683	engineered mutation
Gly 683	Arg 685	engineered mutation
Lys 762	Asn 764	variant
Tyr 794	Asp 796	variant
Pro 815	Phe 817	engineered mutation
Pro 890	Ala 892	engineered mutation
Pro 897	Ala 899	engineered mutation
Phe 937	Ser 939	variant
Pro 940	Ala 942	engineered mutation
His 952	Gln 954	variant
Lys 967	Asn 969	variant
Pro 984	Lys 986	engineered mutation
Pro 985	Val 987	engineered mutation
Leu 1141	Pro 1143	variant
Ala 1209	-	expression tag
Ser 1210	-	expression tag
Ser 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
Glu 1239	-	expression tag
Gly 1240	-	expression tag
Thr 1241	-	expression tag
Lys 1242	-	expression tag
His 1243	-	expression tag
His 1244	-	expression tag
His 1245	-	expression tag
His 1246	-	expression tag
His 1247	-	expression tag
His 1248	-	expression tag

L: 19 - 617 (UniProt: Q9BYF1)

PDB	External Database	Details
Gly 618	-	expression tag
Thr 619	-	expression tag
Lys 620	-	expression tag
His 621	-	expression tag
His 622	-	expression tag
His 623	-	expression tag
His 624	-	expression tag
His 625	-	expression tag
His 626	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	482479.1
Branched	Number of molecules	11
	Total formula weight	5682.3
Non-Polymers*	Number of molecules	32
	Total formula weight	7078.7
All*	Total formula weight	495240.1

*Water molecules are not included.