9BTD

Cryo-EM structure of HCoV-HKU1 glycoprotein in complex with 9O-acetyl GD3 sialoglycan (DDA 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	1348	150632.7	3	UniProt (Q5MQD0) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Human coronavirus HKU1	S glycoprotein,E2,Peplomer protein
2	D, U (D, U)	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	2	In PDB GlyTouCan (G22768VO)
3	E, F, G, H, I... (E, F, G, H, I...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	19	In PDB GlyTouCan (G42666HT)
4	AA, K (a, K)	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	N (N)	alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1073.0	1	In PDB GlyTouCan (G34442SS)
6	AB, BA, BB, CA, CB... (C, A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	37	Chemie (NAG)
7	NA, OB, ZA (A, C, B)	5-acetamido-8-O-(5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid	non-polymer		642.6	3	Chemie (A1AR1)

Sequence modifications

A, B, C: 14 - 1298 (UniProt: Q5MQD0)

PDB	External Database	Details
Pro 1026	Thr 1026	conflict
Pro 1071	Ala 1071	conflict
Pro 1072	Leu 1072	conflict
Ser 1299	-	expression tag
Gly 1300	-	expression tag
Gly 1301	-	expression tag
Tyr 1302	-	expression tag
Ile 1303	-	expression tag
Pro 1304	-	expression tag
Glu 1305	-	expression tag
Ala 1306	-	expression tag
Pro 1307	-	expression tag
Arg 1308	-	expression tag
Asp 1309	-	expression tag
Gly 1310	-	expression tag
Gln 1311	-	expression tag
Ala 1312	-	expression tag
Tyr 1313	-	expression tag
Val 1314	-	expression tag
Arg 1315	-	expression tag
Lys 1316	-	expression tag
Asp 1317	-	expression tag
Gly 1318	-	expression tag
Glu 1319	-	expression tag
Trp 1320	-	expression tag
Val 1321	-	expression tag
Leu 1322	-	expression tag
Leu 1323	-	expression tag
Ser 1324	-	expression tag
Thr 1325	-	expression tag
Phe 1326	-	expression tag
Leu 1327	-	expression tag
Asn 1328	-	expression tag
Ser 1329	-	expression tag
Gly 1330	-	expression tag
Arg 1331	-	expression tag
Ala 1332	-	expression tag
His 1333	-	expression tag
His 1334	-	expression tag
His 1335	-	expression tag
His 1336	-	expression tag
His 1337	-	expression tag
His 1338	-	expression tag
Gly 1339	-	expression tag
Ala 1340	-	expression tag
Gly 1341	-	expression tag
Gly 1342	-	expression tag
Leu 1343	-	expression tag
Asn 1344	-	expression tag
Asp 1345	-	expression tag
Ile 1346	-	expression tag
Phe 1347	-	expression tag
Glu 1348	-	expression tag
Ala 1349	-	expression tag
Gln 1350	-	expression tag
Lys 1351	-	expression tag
Ile 1352	-	expression tag
Glu 1353	-	expression tag
Trp 1354	-	expression tag
His 1355	-	expression tag
Glu 1356	-	expression tag
Asp 1357	-	expression tag
Thr 1358	-	expression tag
Ala 1359	-	expression tag
Ala 1360	-	expression tag
Ala 1361	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	451898.2
Branched	Number of molecules	24
	Total formula weight	12131.3
Non-Polymers*	Number of molecules	40
	Total formula weight	10112.4
All*	Total formula weight	474141.9

*Water molecules are not included.