Zinc in PDB 4qia: Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Inhibitor N-Benzyl-N-(Carboxymethyl)Glycyl-L-Histidine

All present enzymatic activity of Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Inhibitor N-Benzyl-N-(Carboxymethyl)Glycyl-L-Histidine:
3.4.24.56;

The structure of Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Inhibitor N-Benzyl-N-(Carboxymethyl)Glycyl-L-Histidine, PDB code: 4qia 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)	45.45 / 3.20
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	264.505, 264.505, 90.543, 90.00, 90.00, 120.00
R / Rfree (%)	17.9 / 22.2

The binding sites of Zinc atom in the Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Inhibitor N-Benzyl-N-(Carboxymethyl)Glycyl-L-Histidine (pdb code 4qia). 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 Inhibitor N-Benzyl-N-(Carboxymethyl)Glycyl-L-Histidine, PDB code: 4qia:
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 Inhibitor N-Benzyl-N-(Carboxymethyl)Glycyl-L-Histidine


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 Inhibitor N-Benzyl-N-(Carboxymethyl)Glycyl-L-Histidine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1102 b:44.8 occ:1.00 NE2 A:HIS108 2.1 33.2 1.0 NE2 A:HIS112 2.2 44.9 1.0 OE1 A:GLU189 2.2 40.8 1.0 OE2 A:GLU189 2.5 45.3 1.0 CD A:GLU189 2.7 43.3 1.0 CE1 A:HIS108 3.0 44.1 1.0 CE1 A:HIS112 3.1 54.6 1.0 CD2 A:HIS108 3.2 57.8 1.0 CD2 A:HIS112 3.2 74.7 1.0 OE1 A:GLN111 4.1 80.0 1.0 ND1 A:HIS108 4.1 37.6 1.0 ND1 A:HIS112 4.2 39.8 1.0 CG A:GLU189 4.2 34.9 1.0 CG A:HIS108 4.3 38.7 1.0 CG A:HIS112 4.3 39.3 1.0 OH A:TYR831 4.3 40.8 1.0 CE1 A:TYR831 4.5 50.5 1.0 NE2 A:GLN111 4.8 39.5 1.0 CD A:GLN111 4.8 39.3 1.0 CZ A:TYR831 4.8 45.0 1.0 CB A:GLU189 4.9 35.8 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Inhibitor N-Benzyl-N-(Carboxymethyl)Glycyl-L-Histidine


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 Inhibitor N-Benzyl-N-(Carboxymethyl)Glycyl-L-Histidine within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1102 b:50.0 occ:1.00 NE2 B:HIS112 2.1 54.6 1.0 NE2 B:HIS108 2.1 42.6 1.0 OE1 B:GLU189 2.3 69.5 1.0 OE2 B:GLU189 2.9 90.0 1.0 CD B:GLU189 2.9 82.5 1.0 CE1 B:HIS108 3.0 52.9 1.0 CE1 B:HIS112 3.1 66.9 1.0 CD2 B:HIS112 3.1 68.4 1.0 CD2 B:HIS108 3.2 64.8 1.0 NE2 B:GLN111 4.0 60.5 1.0 OH B:TYR831 4.1 83.3 1.0 ND1 B:HIS108 4.2 41.4 1.0 ND1 B:HIS112 4.2 46.6 1.0 CG B:HIS112 4.2 44.4 1.0 CE1 B:TYR831 4.2 67.6 1.0 CG B:HIS108 4.3 41.1 1.0 CG B:GLU189 4.4 41.2 1.0 CZ B:TYR831 4.5 56.6 1.0 CD B:GLN111 4.7 49.4 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