7XB1

Crystal structure of Omicron BA.3 RBD complexed with hACE2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Angiotensin-converting enzyme 2	polymer	596	69038.6	1	UniProt (Q9BYF1) Pfam (PF01401) In PDB	Homo sapiens (human)	ACE-related carboxypeptidase,Angiotensin-converting enzyme homolog
2	B	Spike protein S1	polymer	195	22170.0	1	UniProt (P0DTC2) Pfam (PF09408) In PDB	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein
3	C	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
4	D	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		732.7	1	In PDB GlyTouCan (G32152BH)
5	E	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G15407YE)
6	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
7	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)
8		water	water		18.0	50	Chemie (HOH)

Sequence modifications

B: 333 - 527 (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
Asn 417	Lys 417	variant
Lys 440	Asn 440	variant
Ser 446	Gly 446	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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	91208.6
Branched	Number of molecules	3
	Total formula weight	1743.6
Non-Polymers*	Number of molecules	4
	Total formula weight	729.0
All*	Total formula weight	93681.3

*Water molecules are not included.