8B9P

ACE2 in complex with bicyclic peptide inhibitor

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)	Processed angiotensin-converting enzyme 2	polymer	609	70587.2	2	UniProt (Q9BYF1) Pfam (PF01401)	Homo sapiens (human)
2	C, D (C, D)	ALA-CYS-GLY-ARG-GLN-PHE-CYS-HIS-THR-LEU-MET-PRO-ARG-HIS-LEU-CYS-ALA-NH2	polymer	18	1946.4	2		synthetic construct
3	E, F (C, D)	1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one	non-polymer		492.0	2	Chemie (LFI)
4	G, H, I, J (A, B, C, D)	water	water		18.0	65	Chemie (HOH)

Sequence modifications

A, B: 19 - 615 (UniProt: Q9BYF1)

PDB	External Database	Details
Gly 18	-	expression tag
Ser 616	-	expression tag
Ser 617	-	expression tag
Pro 618	-	expression tag
His 619	-	expression tag
His 620	-	expression tag
His 621	-	expression tag
His 622	-	expression tag
His 623	-	expression tag
His 624	-	expression tag
His 625	-	expression tag
His 626	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	145067.1
Non-Polymers*	Number of molecules	2
	Total formula weight	984.0
All*	Total formula weight	146051.1

*Water molecules are not included.