Zinc in PDB 4lte: Structure of Cysteine-Free Human Insulin Degrading Enzyme in Complex with Macrocyclic Inhibitor

All present enzymatic activity of Structure of Cysteine-Free Human Insulin Degrading Enzyme in Complex with Macrocyclic Inhibitor:
3.4.24.56;

The structure of Structure of Cysteine-Free Human Insulin Degrading Enzyme in Complex with Macrocyclic Inhibitor, PDB code: 4lte was solved by Z.H.Foda, M.A.Seeliger, A.Saghatelian, D.R.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	130.99 / 2.71
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	261.973, 261.973, 90.775, 90.00, 90.00, 120.00
R / Rfree (%)	15.8 / 20

The binding sites of Zinc atom in the Structure of Cysteine-Free Human Insulin Degrading Enzyme in Complex with Macrocyclic Inhibitor (pdb code 4lte). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of Cysteine-Free Human Insulin Degrading Enzyme in Complex with Macrocyclic Inhibitor, PDB code: 4lte:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of Cysteine-Free Human Insulin Degrading Enzyme in Complex with Macrocyclic Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Cysteine-Free Human Insulin Degrading Enzyme in Complex with Macrocyclic Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1101 b:37.7 occ:1.00 NE2 A:HIS112 2.0 30.6 1.0 OE1 A:GLU189 2.0 28.8 1.0 NE2 A:HIS108 2.1 17.7 1.0 O A:HOH1371 2.3 24.2 1.0 CD A:GLU189 2.7 34.3 1.0 OE2 A:GLU189 2.8 39.6 1.0 CE1 A:HIS112 3.0 28.8 1.0 CD2 A:HIS112 3.0 27.5 1.0 CE1 A:HIS108 3.1 23.5 1.0 CD2 A:HIS108 3.2 16.3 1.0 ND1 A:HIS112 4.1 25.5 1.0 CG A:HIS112 4.1 23.1 1.0 CG A:GLU189 4.1 21.7 1.0 ND1 A:HIS108 4.2 25.3 1.0 OH A:TYR831 4.2 36.4 1.0 CE1 A:TYR831 4.2 32.2 1.0 CG A:HIS108 4.3 19.9 1.0 OE1 A:GLN111 4.5 34.5 1.0 NE2 A:GLN111 4.5 35.7 1.0 CZ A:TYR831 4.7 32.6 1.0 CB A:GLU189 4.7 22.9 1.0 CD A:GLN111 4.9 26.1 1.0

Zinc binding site 2 out of 2 in the Structure of Cysteine-Free Human Insulin Degrading Enzyme in Complex with Macrocyclic Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Cysteine-Free Human Insulin Degrading Enzyme in Complex with Macrocyclic Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1101 b:44.6 occ:1.00 OE1 B:GLU189 2.1 33.6 1.0 NE2 B:HIS112 2.1 31.1 1.0 NE2 B:HIS108 2.2 19.9 1.0 OE2 B:GLU189 2.2 44.1 1.0 CD B:GLU189 2.5 36.5 1.0 O B:HOH1255 2.6 42.6 1.0 CE1 B:HIS108 3.0 24.7 1.0 CD2 B:HIS112 3.1 27.1 1.0 CE1 B:HIS112 3.1 30.2 1.0 CD2 B:HIS108 3.2 18.0 1.0 O B:HOH1374 3.8 52.6 1.0 OH B:TYR831 4.0 39.1 1.0 CG B:GLU189 4.0 20.1 1.0 CE1 B:TYR831 4.1 34.5 1.0 ND1 B:HIS112 4.2 24.9 1.0 ND1 B:HIS108 4.2 26.7 1.0 CG B:HIS112 4.2 25.2 1.0 O B:HOH1441 4.3 39.0 1.0 CG B:HIS108 4.3 20.9 1.0 NE2 B:GLN111 4.4 35.2 1.0 CZ B:TYR831 4.5 36.8 1.0 OE1 B:GLN111 4.7 33.1 1.0 CB B:GLU189 4.8 24.7 1.0 CD B:GLN111 5.0 26.0 1.0

J.P.Maianti, A.Mcfedries, Z.H.Foda, R.E.Kleiner, X.Q.Du, M.A.Leissring, W.J.Tang, M.J.Charron, M.A.Seeliger, A.Saghatelian, D.R.Liu. Anti-Diabetic Activity of Insulin-Degrading Enzyme Inhibitors Mediated By Multiple Hormones. Nature V. 511 94 2014.
ISSN: ISSN 0028-0836
PubMed: 24847884
DOI: 10.1038/NATURE13297