9B9U

SARS-CoV-2 full-length spike protein with His1271Lys substitution in the coatomer binding motif, 1RBD-up conformation (SPIKE-KXK)

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	1312	144843.0	3	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2 2019-nCoV COVID-19 virus)	S glycoprotein,E2,Peplomer protein
2	AA, D, EA, F, H... (a, D, e, F, H...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	10	In PDB GlyTouCan (G42666HT)
3	BA, CA, DA, E, FA... (b, c, d, E, f...)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	12	In PDB GlyTouCan (G15407YE)
4	K, S (K, S)	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)
5	L (L)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		732.7	1	In PDB GlyTouCan (G32152BH)
6	JA, O (j, O)	alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		894.8	2	In PDB GlyTouCan (G42466VF)
7	HA, R (h, R)	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	2	In PDB GlyTouCan (G81315DD)
8	W (W)	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		748.7	1	In PDB GlyTouCan (G22573RC)
9	IA, X (i, X)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	2	In PDB GlyTouCan (G21290RB)
10	Y (Y)	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1057.0	1	In PDB GlyTouCan (G82348BZ)
11	AB, KA, LA, MA, NA... (C, A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	17	Chemie (NAG)

Sequence modifications

A, B, C: -38 - 1273 (UniProt: P0DTC2)

PDB	External Database	Details
Ser -20	-	insertion
Ala -19	-	insertion
Trp -18	-	insertion
Ser -17	-	insertion
His -16	-	insertion
Pro -15	-	insertion
Gln -14	-	insertion
Phe -13	-	insertion
Glu -12	-	insertion
Lys -11	-	insertion
Gly -10	-	insertion
Gly -9	-	insertion
Gly -8	-	insertion
Ser -7	-	insertion
Gly -6	-	insertion
Gly -5	-	insertion
Gly -4	-	insertion
Ser -3	-	insertion
Gly -2	-	insertion
Gly -1	-	insertion
Ser 0	-	insertion
Ser 1	-	insertion
Ala 2	-	insertion
Trp 3	-	insertion
Ser 4	-	insertion
His 5	-	insertion
Pro 6	-	insertion
Gln 7	-	insertion
Phe 8	-	insertion
Glu 9	-	insertion
Lys 10	-	insertion
Ser 11	-	insertion
Ala 12	-	insertion
Leu 13	-	insertion
Val 14	-	insertion
Pro 15	-	insertion
Arg 16	-	insertion
Gly 17	-	insertion
Ser 18	-	insertion
Gly 614	Asp 614	variant
Gly 682	Arg 682	engineered mutation
Ser 683	Arg 683	engineered mutation
Ser 685	Arg 685	engineered mutation
Pro 986	Lys 986	engineered mutation
Pro 987	Val 987	engineered mutation
Lys 1271	His 1271	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	434529.1
Branched	Number of molecules	33
	Total formula weight	20070.6
Non-Polymers*	Number of molecules	17
	Total formula weight	3760.5
All*	Total formula weight	458360.3

*Water molecules are not included.