9GXG

Structure of the SARS-CoV spike glycoprotein in complex with a biparatopic Bicycle molecule

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	1133	125519.1	3	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein
2	D, E, F (D, E, F)	Biparatopic bicycle molecule (14mer)	polymer	15	1463.8	3		synthetic construct
3	G, H, I (G, H, I)	Biparatopic bicycle molecule (15mer)	polymer	16	1465.8	3		synthetic construct
4	AA, BA, CA, DA, EA... (CA, CB, CC, CD, CE...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	24	In PDB GlyTouCan (G42666HT)
5	AB, BB, CB, DB, EB... (C, A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	25	Chemie (NAG)
6	IB, PA, XA (C, A, B)	STEARIC ACID	non-polymer		284.5	3	Chemie (STE)
7	JB, KB, LB (D, E, F)	1-[3,5-bis(2-chloranylethanoyl)-1,3,5-triazinan-1-yl]-2-chloranyl-ethanone	non-polymer		316.6	3	Chemie (R06)
8	MB, NB, OB (G, H, I)	2,4,6-tris(chloromethyl)-1,3,5-triazine	non-polymer		226.5	3	Chemie (KZ0)
9	PB, QB, RB (A, B, C)	water	water		18.0	648	Chemie (HOH)

Sequence modifications

A, B, C: 14 - 1146 (UniProt: P0DTC2)

PDB	External Database	Details
Pro 817	Phe 817	engineered mutation
Pro 892	Ala 892	engineered mutation
Pro 899	Ala 899	engineered mutation
Pro 942	Ala 942	engineered mutation
Pro 986	Lys 986	engineered mutation
Pro 987	Val 987	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	9
	Total formula weight	385346.3
Branched	Number of molecules	24
	Total formula weight	10185.6
Non-Polymers*	Number of molecules	34
	Total formula weight	8012.8
All*	Total formula weight	403544.7

*Water molecules are not included.