8OPO

Human Coronavirus HKU1 spike glycoprotein in complex with an alpha2,8-linked 9-O-acetylated disialoside (3-up state)

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,General control transcription factor GCN4	polymer	1326	147770.3	3	UniProt (E0YJ44) UniProt (P03069) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601) Pfam (PF07716)	Human coronavirus HKU1	S glycoprotein,E2,Peplomer protein,Amino acid biosynthesis regulatory protein,General control protein GCN4
2	D, E, F, G, H... (D, E, F, G, H...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	9	In PDB GlyTouCan (G42666HT)
3	M, N, O (M, N, O)	9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-8)-N-acetyl-alpha-neuraminic acid	branched		642.6	3	In PDB
4	AA, BA, CA, DA, EA... (B, C, A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	33	Chemie (NAG)

Sequence modifications

A, B, C: 12 - 1266 (UniProt: E0YJ44)

PDB	External Database	Details
Met -10	-	initiating methionine
Pro -9	-	expression tag
Met -8	-	expression tag
Gly -7	-	expression tag
Ser -6	-	expression tag
Leu -5	-	expression tag
Gln -4	-	expression tag
Pro -3	-	expression tag
Leu -2	-	expression tag
Ala -1	-	expression tag
Thr 0	-	expression tag
Leu 1	-	expression tag
Tyr 2	-	expression tag
Leu 3	-	expression tag
Leu 4	-	expression tag
Gly 5	-	expression tag
Met 6	-	expression tag
Leu 7	-	expression tag
Val 8	-	expression tag
Ala 9	-	expression tag
Ser 10	-	expression tag
Val 11	-	expression tag
Gly 756	Arg 756	engineered mutation
Gly 757	Arg 757	engineered mutation
Ser 758	Lys 758	engineered mutation
Gly 759	Arg 759	engineered mutation
Ser 760	Arg 760	engineered mutation
Leu 1267	-	linker
Ile 1268	-	linker
Lys 1269	-	linker

A, B, C: 1270 - 1301 (UniProt: P03069)

PDB	External Database	Details
Ile 1274	Leu 253	engineered mutation
Ile 1278	Val 257	engineered mutation
Ile 1281	Leu 260	engineered mutation
Glu 1282	Leu 261	engineered mutation
Gln 1285	Asn 264	engineered mutation
Lys 1286	Tyr 265	engineered mutation
Lys 1287	His 266	engineered mutation
Ile 1288	Leu 267	engineered mutation
Ile 1292	Val 271	engineered mutation
Ile 1295	Leu 274	engineered mutation
Lys 1297	-	insertion
Ile 1298	-	insertion
Pro 1302	-	expression tag
Arg 1303	-	expression tag
Gly 1304	-	expression tag
Ser 1305	-	expression tag
Leu 1306	-	expression tag
Glu 1307	-	expression tag
Trp 1308	-	expression tag
Ser 1309	-	expression tag
His 1310	-	expression tag
Pro 1311	-	expression tag
Gln 1312	-	expression tag
Phe 1313	-	expression tag
Glu 1314	-	expression tag
Lys 1315	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	443311.0
Branched	Number of molecules	12
	Total formula weight	5747.3
Non-Polymers*	Number of molecules	33
	Total formula weight	7299.9
All*	Total formula weight	456358.2

*Water molecules are not included.