8HLD

S protein of SARS-CoV-2 in complex with 26434

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	1283	142530.7	3	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein
2	D, F, H (H, I, J)	heavy chain of 26434	polymer	271	28890.6	3		Homo sapiens
3	E, G, I (L, M, N)	light chain of 26434	polymer	225	23868.6	3		Homo sapiens
4	AA, BA, CA, DA, EA... (a, b, c, d, e...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	31	In PDB GlyTouCan (G42666HT)
5	AB, BB, CB, DB, EB... (B, C, A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	24	Chemie (NAG)

Sequence modifications

A, B, C: 1 - 1273 (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
Leu 1274	-	expression tag
Glu 1275	-	expression tag
Asp 1276	-	expression tag
Tyr 1277	-	expression tag
Lys 1278	-	expression tag
Asp 1279	-	expression tag
Asp 1280	-	expression tag
Asp 1281	-	expression tag
Asp 1282	-	expression tag
Lys 1283	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	9
	Total formula weight	585869.7
Branched	Number of molecules	31
	Total formula weight	13156.4
Non-Polymers*	Number of molecules	24
	Total formula weight	5309.0
All*	Total formula weight	604335.1

*Water molecules are not included.