8HLC

S protein of SARS-CoV-2 in complex with 3711

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	142502.6	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 3711	polymer	267	28287.9	3		Homo sapiens
3	E, G, I (L, M, N)	light chain of 3711	polymer	257	27984.7	3		Homo sapiens
4	AA, BA, DA, EA, FA... (a, b, d, e, f...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	23	In PDB GlyTouCan (G42666HT)
5	CA, K, U (c, E, U)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		627.6	3	In PDB GlyTouCan (G47362BJ)
6	AB, BB, CB, DB, EB... (B, A, C)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	38	Chemie (NAG)
7	IB, TA, XB (B, A, C)	LINOLEIC ACID	non-polymer		280.4	3	Chemie (EIC)

Sequence modifications

A, B, C: 1 - 1273 (UniProt: P0DTC2)

PDB	External Database	Details
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	596325.5
Branched	Number of molecules	26
	Total formula weight	11644.0
Non-Polymers*	Number of molecules	41
	Total formula weight	9247.2
All*	Total formula weight	617216.8

*Water molecules are not included.