8XSJ

SARS-CoV-2 Omicron BA.4 RBD + IMCAS-316 + ACE2

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	805	92556.7	1	UniProt (Q9BYF1) Pfam (PF01401) Pfam (PF16959) In PDB	Homo sapiens (human)	Angiotensin-converting enzyme homolog,ACEH,Angiotensin-converting enzyme-related carboxypeptidase,ACE-related carboxypeptidase,Metalloprotease MPROT15
2	B	Spike protein S1	polymer	223	25255.6	1	UniProt (P0DTC2) Pfam (PF09408) In PDB	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)
3	H	IMCAS-316 H chain	polymer	230	24482.4	1		Homo sapiens (human)
4	L	IMCAS-316 L chain	polymer	215	23309.7	1		Homo sapiens (human)
5	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)
6	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	6	Chemie (NAG)
7	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)

Sequence modifications

B: 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
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	165604.4
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	7
	Total formula weight	1392.7
All*	Total formula weight	167421.5

*Water molecules are not included.