6NZK

Structural basis for human coronavirus attachment to sialic acid receptors

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 surface glycoprotein	polymer	1322	146438.3	3	UniProt (Q696P8) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Human coronavirus OC43 (HCoV-OC43)
2	AA, BA, D, E, G... (a, b, D, E, G...)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	15	In PDB GlyTouCan (G15407YE)
3	DA, F, J, P, T... (d, F, J, P, T...)	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		748.7	6	In PDB GlyTouCan (G81315DD)
4	CA, EA, FA, I, K... (c, e, f, I, K...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	9	In PDB GlyTouCan (G42666HT)
5	HA, IA, JA, KA, LA... (A, B, C)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	15	Chemie (NAG)
6	MA, SA, YA (A, B, C)	methyl 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid	non-polymer		365.3	3	Chemie (MJJ)
7	AB, BB, ZA (B, C, A)	water	water		18.0	396	Chemie (HOH)

Sequence modifications

A, B, C: 14 - 1273 (UniProt: Q696P8)

PDB	External Database	Details
Met -9	-	initiating methionine
Pro -8	-	expression tag
Met -7	-	expression tag
Gly -6	-	expression tag
Ser -5	-	expression tag
Leu -4	-	expression tag
Gln -3	-	expression tag
Pro -2	-	expression tag
Leu -1	-	expression tag
Ala 0	-	expression tag
Thr 1	-	expression tag
Leu 2	-	expression tag
Tyr 3	-	expression tag
Leu 4	-	expression tag
Leu 5	-	expression tag
Gly 6	-	expression tag
Met 7	-	expression tag
Leu 8	-	expression tag
Val 9	-	expression tag
Ala 10	-	expression tag
Ser 11	-	expression tag
Val 12	-	expression tag
Leu 13	-	expression tag
Gly 764	Arg 754	engineered mutation
Gly 765	Arg 755	engineered mutation
Gly 767	Arg 757	engineered mutation
Leu 1274	-	expression tag
Ile 1275	-	expression tag
Lys 1276	-	expression tag
Arg 1277	-	expression tag
Met 1278	-	expression tag
Lys 1279	-	expression tag
Gln 1280	-	expression tag
Ile 1281	-	expression tag
Glu 1282	-	expression tag
Asp 1283	-	expression tag
Lys 1284	-	expression tag
Ile 1285	-	expression tag
Glu 1286	-	expression tag
Glu 1287	-	expression tag
Ile 1288	-	expression tag
Glu 1289	-	expression tag
Ser 1290	-	expression tag
Lys 1291	-	expression tag
Gln 1292	-	expression tag
Lys 1293	-	expression tag
Lys 1294	-	expression tag
Ile 1295	-	expression tag
Glu 1296	-	expression tag
Asn 1297	-	expression tag
Glu 1298	-	expression tag
Ile 1299	-	expression tag
Ala 1300	-	expression tag
Arg 1301	-	expression tag
Ile 1302	-	expression tag
Lys 1303	-	expression tag
Lys 1304	-	expression tag
Ile 1305	-	expression tag
Lys 1306	-	expression tag
Leu 1307	-	expression tag
Val 1308	-	expression tag
Pro 1309	-	expression tag
Arg 1310	-	expression tag
Gly 1311	-	expression tag
Ser 1312	-	expression tag
Leu 1313	-	expression tag
Glu 1314	-	expression tag
Trp 1315	-	expression tag
Ser 1316	-	expression tag
His 1317	-	expression tag
Pro 1318	-	expression tag
Gln 1319	-	expression tag
Phe 1320	-	expression tag
Glu 1321	-	expression tag
Lys 1322	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	439314.9
Branched	Number of molecules	30
	Total formula weight	17109.8
Non-Polymers*	Number of molecules	18
	Total formula weight	4414.1
All*	Total formula weight	460838.9

*Water molecules are not included.