8SPH

Crystal structure of chimeric omicron RBD (strain XBB.1) complexed with 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, B (A, B)	Angiotensin-converting enzyme 2	polymer	597	69153.7	2	UniProt (Q9BYF1) Pfam (PF01401)	Homo sapiens (human)	ACE-related carboxypeptidase,Angiotensin-converting enzyme homolog,ACEH,Metalloprotease MPROT15
2	C, D (E, F)	Spike protein S1	polymer	217	24274.5	2	Pfam (PF09408) UniProt (by SIFTS) (P59594)	Severe acute respiratory syndrome coronavirus 2
3	E, L (C, L)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	2	In PDB GlyTouCan (G15407YE)
4	F, G, H, I, K... (D, G, H, I, K...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	6	In PDB GlyTouCan (G42666HT)
5	J (J)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		789.7	1	In PDB GlyTouCan (G25906YW)
6	N, R (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
7	O, S (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
8	P, T, U, V (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
9	Q, W, X (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)
10	AA, BA, Y, Z (E, F, A, B)	water	water		18.0	29	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	186856.4
Branched	Number of molecules	9
	Total formula weight	4509.2
Non-Polymers*	Number of molecules	11
	Total formula weight	1113.6
All*	Total formula weight	192479.2

*Water molecules are not included.