7USB

CCoV-HuPn-2018 S in the swung out conformation (local refinement of domain 0)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Spike glycoprotein	polymer	337	37624.6	1	UniProt (A0A8E6CMP0) In PDB	unidentified human coronavirus	S glycoprotein,E2,Peplomer protein
2	B	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
3	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)

Sequence modifications

A: 17 - 321 (UniProt: A0A8E6CMP0)

PDB	External Database	Details
Met -15	-	initiating methionine
Gly -14	-	expression tag
Ile -13	-	expression tag
Leu -12	-	expression tag
Pro -11	-	expression tag
Ser -10	-	expression tag
Pro -9	-	expression tag
Gly -8	-	expression tag
Met -7	-	expression tag
Pro -6	-	expression tag
Ala -5	-	expression tag
Leu -4	-	expression tag
Leu -3	-	expression tag
Ser -2	-	expression tag
Leu -1	-	expression tag
Val 0	-	expression tag
Ser 1	-	expression tag
Leu 2	-	expression tag
Leu 3	-	expression tag
Ser 4	-	expression tag
Val 5	-	expression tag
Leu 6	-	expression tag
Leu 7	-	expression tag
Met 8	-	expression tag
Gly 9	-	expression tag
Cys 10	-	expression tag
Val 11	-	expression tag
Ala 12	-	expression tag
Glu 13	-	expression tag
Thr 14	-	expression tag
Gly 15	-	expression tag
Thr 16	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	37624.6
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	3
	Total formula weight	663.6
All*	Total formula weight	38712.6

*Water molecules are not included.