8AQU

BA.1 SARS-CoV-2 Spike bound to mouse ACE2 (local)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, membrane-bound form	polymer	886	101892.1	1	UniProt (Q8R0I0) UniProt (P01865) Pfam (PF01401) Pfam (PF07654)	Mus musculus (house mouse)
2	B (B)	Spike glycoprotein,Fibritin	polymer	1285	142558.1	1	UniProt (P0DTC2) UniProt (P10104) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein,Collar protein,Whisker antigen control protein
3	C (C)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
4	D (B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)

Sequence modifications

A: 19 - 615 (UniProt: Q8R0I0)

PDB	External Database	Details
Met -15	-	initiating methionine
Gly -14	-	expression tag
Thr -13	-	expression tag
Leu -12	-	expression tag
Ser -11	-	expression tag
Ala -10	-	expression tag
Pro -9	-	expression tag
Pro -8	-	expression tag
Cys -7	-	expression tag
Thr -6	-	expression tag
Gln -5	-	expression tag
Arg -4	-	expression tag
Ile -3	-	expression tag
Lys -2	-	expression tag
Trp -1	-	expression tag
Lys 0	-	expression tag
Gly 1	-	expression tag
Leu 2	-	expression tag
Leu 3	-	expression tag
Leu 4	-	expression tag
Thr 5	-	expression tag
Ala 6	-	expression tag
Ser 7	-	expression tag
Leu 8	-	expression tag
Leu 9	-	expression tag
Asn 10	-	expression tag
Phe 11	-	expression tag
Trp 12	-	expression tag
Asn 13	-	expression tag
Leu 14	-	expression tag
Pro 15	-	expression tag
Thr 16	-	expression tag
Thr 17	-	expression tag
Ala 18	-	expression tag
Thr 616	-	linker
Gly 617	-	linker
Leu 618	-	linker
Glu 619	-	linker
Val 620	-	linker
Leu 621	-	linker
Phe 622	-	linker
Gln 623	-	linker
Gly 624	-	linker
Pro 625	-	linker
Met 626	-	linker
Asp 627	-	linker

A: 628 - 859 (UniProt: P01865)

PDB	External Database	Details
Lys 860	-	expression tag
His 861	-	expression tag
His 862	-	expression tag
His 863	-	expression tag
His 864	-	expression tag
His 865	-	expression tag
His 866	-	expression tag
His 867	-	expression tag
His 868	-	expression tag
His 869	-	expression tag
His 870	-	expression tag

B: 4 - 1208 (UniProt: P0DTC2)

PDB	External Database	Details
Val 70	Ala 67	variant
-	His 69	deletion
-	Val 70	deletion
Ile 96	Thr 95	variant
Asp 143	Gly 142	variant
-	Val 143	deletion
-	Tyr 144	deletion
-	Tyr 145	deletion
Ile 209	Asn 211	variant
Val 210	Leu 212	variant
Arg 211	Val 213	variant
Glu 212	Arg 214	variant
Pro 213	-	insertion
Glu 214	-	insertion
Asp 339	Gly 339	variant
Leu 371	Ser 371	variant
Pro 373	Ser 373	variant
Phe 375	Ser 375	variant
Asn 417	Lys 417	variant
Lys 440	Asn 440	variant
Ser 446	Gly 446	variant
Asn 477	Ser 477	variant
Lys 478	Thr 478	variant
Ala 484	Glu 484	variant
Arg 493	Gln 493	variant
Ser 496	Gly 496	variant
Arg 498	Gln 498	variant
Tyr 501	Asn 501	variant
His 505	Tyr 505	variant
Lys 547	Thr 547	variant
Gly 614	Asp 614	variant
Tyr 655	His 655	variant
Lys 679	Asn 679	variant
His 681	Pro 681	variant
Gly 682	Arg 682	engineered mutation
Ser 683	Arg 683	engineered mutation
Ser 685	Arg 685	engineered mutation
Lys 764	Asn 764	variant
Tyr 796	Asp 796	variant
Lys 856	Asn 856	variant
His 954	Gln 954	variant
Lys 969	Asn 969	variant
Phe 981	Leu 981	variant
Pro 986	Lys 986	engineered mutation
Pro 987	Val 987	engineered mutation
Gly 1209	-	linker
Ser 1210	-	linker

B: 1211 - 1237 (UniProt: P10104)

PDB	External Database	Details
Leu 1232	Phe 479	engineered mutation
Gly 1238	-	expression tag
Arg 1239	-	expression tag
Ser 1240	-	expression tag
Leu 1241	-	expression tag
Glu 1242	-	expression tag
Val 1243	-	expression tag
Leu 1244	-	expression tag
Phe 1245	-	expression tag
Gln 1246	-	expression tag
Gly 1247	-	expression tag
Pro 1248	-	expression tag
Gly 1249	-	expression tag
His 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
His 1257	-	expression tag
Ser 1258	-	expression tag
Ala 1259	-	expression tag
Trp 1260	-	expression tag
Ser 1261	-	expression tag
His 1262	-	expression tag
Pro 1263	-	expression tag
Gln 1264	-	expression tag
Phe 1265	-	expression tag
Glu 1266	-	expression tag
Lys 1267	-	expression tag
Gly 1268	-	expression tag
Gly 1269	-	expression tag
Gly 1270	-	expression tag
Ser 1271	-	expression tag
Gly 1272	-	expression tag
Gly 1273	-	expression tag
Gly 1274	-	expression tag
Gly 1275	-	expression tag
Ser 1276	-	expression tag
Gly 1277	-	expression tag
Gly 1278	-	expression tag
Ser 1279	-	expression tag
Ala 1280	-	expression tag
Trp 1281	-	expression tag
Ser 1282	-	expression tag
His 1283	-	expression tag
Pro 1284	-	expression tag
Gln 1285	-	expression tag
Phe 1286	-	expression tag
Glu 1287	-	expression tag
Lys 1288	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	244450.2
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	1
	Total formula weight	221.2
All*	Total formula weight	245095.8

*Water molecules are not included.