7PS1

Crystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with Beta-27 Fab

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (E)	Spike protein S1	polymer	210	23646.6	1	UniProt (P0DTC2) Pfam (PF09408)	Severe acute respiratory syndrome coronavirus 2
2	B (A)	Beta-27 Fab heavy chain	polymer	222	23532.5	1		Homo sapiens (Human)
3	C (B)	Beta-27 Fab light chain	polymer	214	23129.5	1		Homo sapiens (Human)
4	D (E)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
5	E, F, I, J (E, A)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
6	G, H, K, Q (E, A, B)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
7	L, M, N, R (A, B)	IODIDE ION	non-polymer		126.9	4	Chemie (IOD)
8	O, P (B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
9	S, T, U (E, A, B)	water	water		18.0	130	Chemie (HOH)

Sequence modifications

E: 333 - 526 (UniProt: P0DTC2)

PDB	External Database	Details
Met 319	-	initiating methionine
Gly 320	-	expression tag
Cys 321	-	expression tag
Val 322	-	expression tag
Ala 323	-	expression tag
Glu 324	-	expression tag
Thr 325	-	expression tag
Gly 326	-	expression tag
His 327	-	expression tag
His 328	-	expression tag
His 329	-	expression tag
His 330	-	expression tag
His 331	-	expression tag
His 332	-	expression tag
Asn 417	Lys 417	variant
Lys 484	Glu 484	variant
Tyr 501	Asn 501	variant
Lys 527	-	expression tag
Lys 528	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	70308.6
Non-Polymers*	Number of molecules	15
	Total formula weight	1451.3
All*	Total formula weight	71759.8

*Water molecules are not included.