4PES

Crystal structure of insulin degrading enzyme complexed with inhibitor tert-butyl [(2S)-2-(2,5-difluorophenyl)-3-(quinolin-3-yl)propyl]carbamate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Insulin-degrading enzyme	polymer	989	114493.5	2	UniProt (P14735) Pfam (PF00675) Pfam (PF05193) Pfam (PF16187) In PDB	Homo sapiens (Human)	Abeta-degrading protease,Insulin protease,Insulinase,Insulysin
2	C, D	Ala-Ala-Ala	polymer	3	231.2	2		Homo sapiens (Human)
3	A, B	tert-butyl [(2S)-2-(2,5-difluorophenyl)-3-(quinolin-3-yl)propyl]carbamate	non-polymer		398.4	2	Chemie (2PJ)
4	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
5		water	water		18.0	472	Chemie (HOH)

Sequence modifications

A, B: 42 - 1019 (UniProt: P14735)

PDB	External Database	Details
Met 31	-	expression tag
Gly 32	-	expression tag
His 33	-	expression tag
His 34	-	expression tag
His 35	-	expression tag
His 36	-	expression tag
His 37	-	expression tag
His 38	-	expression tag
Gly 39	-	expression tag
Arg 40	-	expression tag
Ala 41	-	expression tag
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	229449.5
Non-Polymers*	Number of molecules	4
	Total formula weight	927.7
All*	Total formula weight	230377.2

*Water molecules are not included.