8GB8

Crystal structure of SARS-CoV-2 BA.2 receptor binding domain in complex with neutralizing antibody 20A7

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	231	26261.7	1	UniProt (P0DTC2) Pfam (PF09408)	Severe acute respiratory syndrome coronavirus 2
2	B (H)	20A7 Heavy chain	polymer	224	23831.7	1		Macaca mulatta (Rhesus monkey)
3	C (L)	20A7 Light chain	polymer	214	23201.7	1		Macaca mulatta (Rhesus monkey)
4	D (E)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
5	E, I, J (E, L)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
6	F (L)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
7	G (L)	GLYCINE	non-polymer		75.1	1	Chemie (GLY)
8	H (L)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
9	K, L, M (E, H, L)	water	water		18.0	194	Chemie (HOH)

Sequence modifications

E: 319 - 541 (UniProt: P0DTC2)

PDB	External Database	Details
Asp 339	Gly 339	variant
Phe 371	Ser 371	variant
Pro 373	Ser 373	variant
Phe 375	Ser 375	variant
Ala 376	Thr 376	variant
Asn 405	Asp 405	variant
Ser 408	Arg 408	variant
Asn 417	Lys 417	variant
Lys 440	Asn 440	variant
Asn 477	Ser 477	variant
Lys 478	Thr 478	variant
Ala 484	Glu 484	variant
Arg 493	Gln 493	variant
Arg 498	Gln 498	variant
Tyr 501	Asn 501	variant
His 505	Tyr 505	variant
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	3
	Total formula weight	73295.1
Non-Polymers*	Number of molecules	7
	Total formula weight	680.7
All*	Total formula weight	73975.8

*Water molecules are not included.