3E4A

Human IDE-inhibitor complex at 2.6 angstrom resolution

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	1019	117968.7	2	UniProt (P14735) Pfam (PF00675) Pfam (PF05193) Pfam (PF16187) In PDB	Homo sapiens (human)	Insulysin, Insulinase, Insulin protease
2	F, G	HYDROXAMATE PEPTIDE II1	polymer	3	231.2	2		synthetic construct
3	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	A, B	N~2~-[(2R)-4-(HYDROXYAMINO)-2-(2-NAPHTHYLMETHYL)-4-OXOBUTANOYL]-L-ARGINYLGLYCYLGLYCINAMIDE	non-polymer		542.6	2	Chemie (QIX)
5	A, B	1,4-DIETHYLENE DIOXIDE	non-polymer		88.1	7	Chemie (DIO)
6	B, A	ACETIC ACID	non-polymer		60.1	14	Chemie (ACY)
7		water	water		18.0	372	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Ile 78	Met 78	engineered mutation
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
Ala 555	Val 555	engineered mutation
Phe 567	Lys 567	engineered mutation
Phe 568	Lys 568	engineered mutation
Leu 569	Lys 569	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
Gly 845	Ser 845	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	25
	Total formula weight	2673.5
All*	Total formula weight	239073.3

*Water molecules are not included.