22HG

SARS-CoV-2 BA.3.2.2(RE.2.2) RBD in complex with human ACE2 and monoclonal antibody S2H97

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Spike protein S1	polymer	186	21462.1	1	UniProt (P0DTC2)	Severe acute respiratory syndrome coronavirus 2
2	B (B)	Processed angiotensin-converting enzyme 2	polymer	588	68130.7	1	UniProt (Q9BYF1)	Homo sapiens (human)
3	C (I)	Heavy chain of monoclonal antibody S2H97	polymer	119	13520.1	1		Homo sapiens
4	D (M)	Light chain of monoclonal antibody S2H97	polymer	112	11648.7	1		Homo sapiens
5	E (C)	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	F, G, H, I, J... (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	7	Chemie (NAG) PubChem (24139)
7	M (B)	ZINC ION	non-polymer		65.4	1	Chemie (ZN) PubChem (32051)

Sequence modifications

A: 336 - 521 (UniProt: P0DTC2)

PDB	External Database	Details
Tyr 339	Gly 339	conflict
Pro 348	Ala 348	conflict
Thr 356	Lys 356	conflict
Phe 371	Ser 371	variant
Pro 373	Ser 373	variant
Phe 375	Ser 375	variant
Lys 403	Arg 403	conflict
Asn 405	Asp 405	variant
Ser 408	Arg 408	variant
Asn 417	Lys 417	variant
Ser 435	Ala 435	conflict
Arg 440	Asn 440	conflict
Ala 445	Val 445	conflict
Asp 446	Gly 446	conflict
Trp 452	Leu 452	conflict
Lys 460	Asn 460	variant
Asn 477	Ser 477	variant
Asn 478	Thr 478	conflict
Lys 484	Glu 484	variant
Ser 496	Gly 496	variant
Arg 498	Gln 498	variant
Tyr 501	Asn 501	variant

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	114761.5
Branched	Number of molecules	1
	Total formula weight	586.5
Non-Polymers*	Number of molecules	8
	Total formula weight	1613.9
All*	Total formula weight	116961.9

*Water molecules are not included.