Zinc in PDB 4dtt: Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compund 41367

All present enzymatic activity of Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compund 41367:
3.4.24.56;

The structure of Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compund 41367, PDB code: 4dtt was solved by Q.Guo, R.Deprez-Poulain, B.Deprez, W.J.Tang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 3.22
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	263.518, 263.518, 90.401, 90.00, 90.00, 120.00
R / Rfree (%)	17.5 / 24.2

The binding sites of Zinc atom in the Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compund 41367 (pdb code 4dtt). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compund 41367, PDB code: 4dtt:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compund 41367


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compund 41367 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1101 b:57.2 occ:1.00 OE1 A:GLU189 2.0 46.5 1.0 NE2 A:HIS108 2.2 40.9 1.0 NE2 A:HIS112 2.2 43.4 1.0 O19 A:I411102 2.3 98.6 1.0 CD A:GLU189 2.7 46.3 1.0 OE2 A:GLU189 2.8 47.5 1.0 CD2 A:HIS112 3.0 44.2 1.0 CE1 A:HIS108 3.1 41.6 1.0 CD2 A:HIS108 3.2 42.0 1.0 CE1 A:HIS112 3.3 43.4 1.0 C18 A:I411102 3.5 0.2 1.0 O20 A:I411102 4.1 99.4 1.0 CG A:HIS112 4.2 41.9 1.0 ND1 A:HIS108 4.2 41.7 1.0 CG A:GLU189 4.2 44.9 1.0 ND1 A:HIS112 4.3 43.1 1.0 CG A:HIS108 4.3 41.2 1.0 OH A:TYR831 4.4 52.3 1.0 OE1 A:GLU111 4.4 43.0 1.0 O A:HOH1243 4.6 24.5 1.0 C17 A:I411102 4.6 0.0 1.0 CE1 A:TYR831 4.6 49.6 1.0 OE2 A:GLU111 4.8 44.0 1.0 CB A:GLU189 4.8 44.6 1.0 CZ A:TYR831 4.9 49.7 1.0 CD A:GLU111 5.0 41.5 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compund 41367


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compund 41367 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1101 b:63.7 occ:1.00 OE1 B:GLU189 1.8 52.1 1.0 O19 B:I411102 2.0 0.6 1.0 NE2 B:HIS108 2.1 45.8 1.0 NE2 B:HIS112 2.1 49.1 1.0 CE1 B:HIS108 2.8 45.7 1.0 CD B:GLU189 2.9 53.3 1.0 CE1 B:HIS112 3.1 51.3 1.0 CD2 B:HIS112 3.1 50.6 1.0 C18 B:I411102 3.1 0.2 1.0 CD2 B:HIS108 3.2 45.2 1.0 OE2 B:GLU189 3.5 52.6 1.0 O20 B:I411102 3.6 98.2 1.0 ND1 B:HIS108 4.0 46.0 1.0 ND1 B:HIS112 4.2 51.4 1.0 CG B:GLU189 4.2 51.3 1.0 CG B:HIS112 4.2 51.1 1.0 CG B:HIS108 4.3 44.7 1.0 C17 B:I411102 4.4 0.3 1.0 OH B:TYR831 4.4 58.0 1.0 CE1 B:TYR831 4.5 53.0 1.0 CB B:GLU189 4.7 49.7 1.0 N16 B:I411102 4.7 0.9 1.0 CZ B:TYR831 4.8 53.8 1.0 OE1 B:GLU111 4.9 51.1 1.0 OE2 B:GLU111 4.9 53.1 1.0

J.Charton, M.Gauriot, Q.Guo, N.Hennuyer, X.Marechal, J.Dumont, M.Hamdane, V.Pottiez, V.Landry, O.Sperandio, M.Flipo, L.Buee, B.Staels, F.Leroux, W.J.Tang, B.Deprez, R.Deprez-Poulain. Imidazole-Derived 2-[N-Carbamoylmethyl-Alkylamino]Acetic Acids, Substrate-Dependent Modulators of Insulin-Degrading Enzyme in Amyloid-Beta Hydrolysis. Eur.J.Med.Chem. V. 79 184 2014.
ISSN: ISSN 0223-5234
PubMed: 24735644
DOI: 10.1016/J.EJMECH.2014.04.009