9FMM

Structure of human ACE2 in complex with a fluorinated small molecule inhibitor

This is a non-PDB format compatible entry.

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	730	84658.4	2	UniProt (Q9BYF1) Pfam (PF01401) Pfam (PF16959)	Homo sapiens (human)	Angiotensin-converting enzyme homolog,ACEH,Angiotensin-converting enzyme-related carboxypeptidase,ACE-related carboxypeptidase,Metalloprotease MPROT15
2	C, P (A, B)	(2~{S})-2-[[(2~{S})-3-[3-[(3-chloranyl-5-fluoranyl-phenyl)methyl]imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid	non-polymer		411.9	2	Chemie (A1IDX)
3	D, E, G, O, Q... (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	6	Chemie (NAG)
4	F, H, I, J, K... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
5	L, W, X (A, B)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
6	M, Y (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
7	N, Z (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
8	AA, BA (A, B)	water	water		18.0	152	Chemie (HOH)

Sequence modifications

A, B: 19 - 740 (UniProt: Q9BYF1)

PDB	External Database	Details
His 741	-	expression tag
His 742	-	expression tag
His 743	-	expression tag
His 744	-	expression tag
His 745	-	expression tag
His 746	-	expression tag
His 747	-	expression tag
His 748	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	169316.9
Non-Polymers*	Number of molecules	24
	Total formula weight	2992.7
All*	Total formula weight	172309.6

*Water molecules are not included.