9YSS

Local refinement of hACE2/SARS-CoV-2 LP.8.1 spike, conformation 1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Angiotensin-converting enzyme 2	polymer	623	71957.8	1	UniProt (Q9BYF1)	Homo sapiens (human)	Angiotensin-converting enzyme homolog,ACEH,Angiotensin-converting enzyme-related carboxypeptidase,ACE-related carboxypeptidase,Metalloprotease MPROT15
2	B (B)	SARS-CoV-2 LP.8.1 spike	polymer	1283	142201.6	1		Severe acute respiratory syndrome coronavirus 2
3	C, D (C, D)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
4	E, F, G, H (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG) PubChem (24139)

Sequence modifications

A: 1 - 617 (UniProt: Q9BYF1)

PDB	External Database	Details
Asn 87	Glu 87	conflict
Gly 616	Gln 616	conflict
His 618	-	expression tag
His 619	-	expression tag
His 620	-	expression tag
His 621	-	expression tag
His 622	-	expression tag
His 623	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	214159.5
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	4
	Total formula weight	884.8
All*	Total formula weight	215893.1

*Water molecules are not included.