8WE4

SARS-CoV-2 Omicron XBB.1.5 RBD complexed with human ACE2 and S304

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)
2	B	Spike protein S1	polymer	223	25159.6	1	UniProt (P0DTC2) Pfam (PF09408) In PDB	Severe acute respiratory syndrome coronavirus 2
3	H	S304 Fab Heavy Chain	polymer	231	24613.4	1		Homo sapiens
4	L	S304 Fab Light Chain	polymer	216	23458.0	1		Homo sapiens
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	D	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	1	In PDB GlyTouCan (G21290RB)
7	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	5	Chemie (NAG)
8	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)

Sequence modifications

B: 319 - 541 (UniProt: P0DTC2)

PDB	External Database	Details
His 339	Gly 339	variant
Thr 346	Arg 346	variant
Ile 368	Leu 368	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
Pro 445	Val 445	variant
Ser 446	Gly 446	variant
Lys 460	Asn 460	variant
Asn 477	Ser 477	variant
Lys 478	Thr 478	variant
Ala 484	Glu 484	variant
Pro 486	Phe 486	variant
Ser 490	Phe 490	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	165787.7
Branched	Number of molecules	2
	Total formula weight	994.9
Non-Polymers*	Number of molecules	6
	Total formula weight	1171.4
All*	Total formula weight	167954.1

*Water molecules are not included.