6BYZ

Structure of Cysteine-free Human Insulin-Degrading Enzyme in complex with Substrate-selective Macrocyclic Inhibitor 37

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)	Insulin-degrading enzyme	polymer	1019	117968.7	2	UniProt (P14735) Pfam (PF00675) Pfam (PF05193) Pfam (PF16187)	Homo sapiens (Human)	Abeta-degrading protease,Insulin protease,Insulinase,Insulysin
2	C, D (D, E)	ALA-ALA-ALA	polymer	3	231.2	2		Escherichia coli BL21(DE3)
3	E, G (A, B)	[(8R,9S,10S)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol	non-polymer		558.7	2	Chemie (J18)
4	F, H (A, B)	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	2	Chemie (EPE)
5	I, J, K (A, B, D)	water	water		18.0	389	Chemie (HOH)

Sequence modifications

A, B: 1 - 1019 (UniProt: P14735)

PDB	External Database	Details
Leu 110	Cys 110	engineered mutation
Gln 111	Glu 111	engineered mutation
Ser 171	Cys 171	engineered mutation
Ala 178	Cys 178	engineered mutation
Val 257	Cys 257	engineered mutation
Leu 414	Cys 414	engineered mutation
Asn 573	Cys 573	engineered mutation
Ser 590	Cys 590	engineered mutation
Ser 789	Cys 789	engineered mutation
Ala 812	Cys 812	engineered mutation
Ala 819	Cys 819	engineered mutation
Ser 904	Cys 904	engineered mutation
Asn 966	Cys 966	engineered mutation
Ala 974	Cys 974	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	236399.8
Non-Polymers*	Number of molecules	4
	Total formula weight	1593.9
All*	Total formula weight	237993.7

*Water molecules are not included.