8XYE

Crystal structure of SARS-CoV-2 BA.4 RBD and human ACE2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D (B, A)	Processed angiotensin-converting enzyme 2	polymer	598	69250.8	2	UniProt (Q9BYF1) Pfam (PF01401)	Homo sapiens (human)
2	B, C (C, D)	Spike protein S1	polymer	194	21939.7	2	UniProt (P0DTC2) Pfam (PF09408)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)
3	E, F, G (E, F, G)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	3	In PDB GlyTouCan (G15407YE)
4	H (H)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
5	I, J, K, L, M... (B, A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	7	Chemie (NAG)

Sequence modifications

B, A: 19 - 614 (UniProt: Q9BYF1)

PDB	External Database	Details
Asp 17	-	expression tag
Pro 18	-	expression tag

C, D: 333 - 526 (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
Asn 405	Asp 405	variant
Ser 408	Arg 408	variant
Asn 417	Lys 417	variant
Lys 440	Asn 440	variant
Arg 452	Leu 452	variant
Asn 477	Ser 477	variant
Lys 478	Thr 478	variant
Ala 484	Glu 484	variant
Val 486	Phe 486	variant
Arg 498	Gln 498	variant
Tyr 501	Asn 501	variant
His 505	Tyr 505	variant

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	182381.0
Branched	Number of molecules	4
	Total formula weight	2184.0
Non-Polymers*	Number of molecules	7
	Total formula weight	1548.5
All*	Total formula weight	186113.5

*Water molecules are not included.