7KN3

Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-B8 Fab

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Spike protein S1	polymer	231	26095.3	2	UniProt (P0DTC2) Pfam (PF09408)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
2	C, E (H, M)	S-B8 Fab heavy chain	polymer	219	23225.9	2		Homo sapiens (human)
3	D, F (L, N)	S-B8 Fab light chain	polymer	221	24271.9	2		Homo sapiens (human)
4	G, J (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
5	H, I, L, M, Q... (A, H, M, N)	1,2-ETHANEDIOL	non-polymer		62.1	8	Chemie (EDO)
6	K, N (H, L)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
7	O, P (L)	TRIETHYLENE GLYCOL	non-polymer		150.2	2	Chemie (PGE)
8	U, V, W, X, Y... (A, B, H, L, M...)	water	water		18.0	441	Chemie (HOH)

Sequence modifications

A, B: 319 - 541 (UniProt: P0DTC2)

PDB	External Database	Details
Ser 542	-	expression tag
Gly 543	-	expression tag
His 544	-	expression tag
His 545	-	expression tag
His 546	-	expression tag
His 547	-	expression tag
His 548	-	expression tag
His 549	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	147186.5
Non-Polymers*	Number of molecules	14
	Total formula weight	1431.4
All*	Total formula weight	148617.9

*Water molecules are not included.