Zinc in PDB 4ifh: Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound BDM44619

All present enzymatic activity of Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound BDM44619:
3.4.24.56;

The structure of Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound BDM44619, PDB code: 4ifh was solved by W.G.Liang, Q.Guo, R.Deprez, B.Deprez, W.Tang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.71 / 3.29
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	263.022, 263.022, 90.590, 90.00, 90.00, 120.00
R / Rfree (%)	18.2 / 22.4

The binding sites of Zinc atom in the Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound BDM44619 (pdb code 4ifh). 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 Compound BDM44619, PDB code: 4ifh:
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 Compound BDM44619


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 Compound BDM44619 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1101 b:17.1 occ:1.00 OE1 A:GLU189 2.0 22.4 1.0 NE2 A:HIS112 2.0 28.3 1.0 NE2 A:HIS108 2.1 21.3 1.0 O A:HOH1220 2.4 38.9 1.0 OE2 A:GLU189 2.6 23.1 1.0 CD A:GLU189 2.6 22.3 1.0 CE1 A:HIS108 2.9 21.1 1.0 CD2 A:HIS112 3.0 36.1 1.0 CE1 A:HIS112 3.1 40.4 1.0 CD2 A:HIS108 3.2 21.2 1.0 CG A:GLU189 4.1 23.0 1.0 ND1 A:HIS108 4.1 19.6 1.0 CG A:HIS112 4.1 27.3 1.0 ND1 A:HIS112 4.1 29.1 1.0 CG A:HIS108 4.3 20.8 1.0 OE1 A:GLU111 4.3 22.5 1.0 OH A:TYR831 4.4 25.6 1.0 CE1 A:TYR831 4.5 22.6 1.0 CB A:GLU189 4.7 23.4 1.0 CZ A:TYR831 4.8 22.3 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound BDM44619


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 Compound BDM44619 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1101 b:32.9 occ:1.00 OE1 B:GLU189 2.0 39.8 1.0 OBG B:1EF1102 2.0 65.2 1.0 NE2 B:HIS112 2.1 44.6 1.0 NE2 B:HIS108 2.3 35.4 1.0 OBE B:1EF1102 2.5 67.4 1.0 CD B:GLU189 2.8 39.9 1.0 NBF B:1EF1102 2.9 66.9 1.0 OE2 B:GLU189 2.9 53.7 1.0 CD2 B:HIS112 3.0 47.4 1.0 CE1 B:HIS108 3.0 29.8 1.0 CBD B:1EF1102 3.1 68.7 1.0 CE1 B:HIS112 3.1 58.4 1.0 CD2 B:HIS108 3.4 31.5 1.0 ND1 B:HIS112 4.2 41.8 1.0 CG B:HIS112 4.2 40.1 1.0 CG B:GLU189 4.2 36.5 1.0 OH B:TYR831 4.2 55.5 1.0 ND1 B:HIS108 4.2 27.4 1.0 CE1 B:TYR831 4.3 44.8 1.0 CG B:HIS108 4.5 28.1 1.0 CZ B:TYR831 4.6 47.7 1.0 CAS B:1EF1102 4.6 72.3 1.0 CB B:GLU189 4.7 33.0 1.0 CAR B:1EF1102 4.9 76.6 1.0

W.G.Liang, Q.Guo, R.Deprez, B.Deprez, W.Tang. Discovery and Structure-Activity Relationships of Triazole Inhibitors of Insulin-Degrading Enzyme To Be Published.