Zinc in PDB 3e4a: Human Ide-Inhibitor Complex at 2.6 Angstrom Resolution

All present enzymatic activity of Human Ide-Inhibitor Complex at 2.6 Angstrom Resolution:
3.4.24.56;

The structure of Human Ide-Inhibitor Complex at 2.6 Angstrom Resolution, PDB code: 3e4a was solved by E.Malito, M.A.Leissring, S.Choi, G.D.Cuny, W.J.Tang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.28 / 2.60
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	261.402, 261.402, 92.054, 90.00, 90.00, 120.00
R / Rfree (%)	16.7 / 22.5

The binding sites of Zinc atom in the Human Ide-Inhibitor Complex at 2.6 Angstrom Resolution (pdb code 3e4a). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Human Ide-Inhibitor Complex at 2.6 Angstrom Resolution, PDB code: 3e4a:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Human Ide-Inhibitor Complex at 2.6 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Ide-Inhibitor Complex at 2.6 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2000 b:31.1 occ:1.00 O17 A:QIX2001 1.6 43.5 1.0 OE2 A:GLU189 1.9 27.8 1.0 NE2 A:HIS112 2.1 30.6 1.0 NE2 A:HIS108 2.1 25.4 1.0 O15 A:QIX2001 2.5 42.7 1.0 N16 A:QIX2001 2.6 40.1 1.0 CD A:GLU189 2.7 36.4 1.0 OE1 A:GLU189 2.7 34.3 1.0 C14 A:QIX2001 2.9 38.6 1.0 CE1 A:HIS112 2.9 28.1 1.0 CE1 A:HIS108 3.0 21.2 1.0 CD2 A:HIS108 3.1 22.3 1.0 CD2 A:HIS112 3.2 25.0 1.0 ND1 A:HIS112 4.1 34.7 1.0 CG A:GLU189 4.1 26.4 1.0 ND1 A:HIS108 4.2 33.8 1.0 C13 A:QIX2001 4.2 43.2 1.0 CG A:HIS108 4.2 26.2 1.0 CG A:HIS112 4.3 31.2 1.0 C12 A:QIX2001 4.4 47.4 1.0 CE1 A:TYR831 4.5 32.4 1.0 O A:HOH2222 4.5 30.0 1.0 NE2 A:GLN111 4.5 23.9 1.0 CB A:GLU189 4.6 22.2 1.0 OH A:TYR831 4.7 32.5 1.0 CG2 A:VAL186 4.9 21.9 1.0 OE1 A:GLN111 4.9 38.0 1.0

Zinc binding site 2 out of 2 in the Human Ide-Inhibitor Complex at 2.6 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Human Ide-Inhibitor Complex at 2.6 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn2000 b:32.3 occ:1.00 NE2 B:HIS108 2.1 26.1 1.0 O17 B:QIX2001 2.1 57.7 1.0 NE2 B:HIS112 2.1 21.9 1.0 OE1 B:GLU189 2.2 36.0 1.0 O15 B:QIX2001 2.3 49.6 1.0 N16 B:QIX2001 2.6 45.6 1.0 C14 B:QIX2001 2.7 43.6 1.0 CD B:GLU189 2.9 31.7 1.0 OE2 B:GLU189 3.0 34.4 1.0 CE1 B:HIS112 3.0 31.8 1.0 CE1 B:HIS108 3.1 35.7 1.0 CD2 B:HIS108 3.1 25.6 1.0 CD2 B:HIS112 3.2 29.1 1.0 C13 B:QIX2001 4.0 47.0 1.0 ND1 B:HIS108 4.2 37.2 1.0 ND1 B:HIS112 4.2 32.7 1.0 CG B:HIS108 4.3 30.5 1.0 CG B:HIS112 4.3 39.6 1.0 C12 B:QIX2001 4.3 59.5 1.0 CG B:GLU189 4.4 30.1 1.0 CE1 B:TYR831 4.5 40.8 1.0 OH B:TYR831 4.6 51.4 1.0 O B:HOH2160 4.6 30.7 1.0 OE1 B:GLN111 4.8 31.3 1.0 CB B:GLU189 4.8 25.4 1.0 NE2 B:GLN111 4.8 39.5 1.0 CZ B:TYR831 4.9 44.3 1.0

M.A.Leissring, E.Malito, S.Hedouin, L.Reinstatler, T.Sahara, S.O.Abdul-Hay, S.Choudhry, G.M.Maharvi, A.H.Fauq, M.Huzarska, P.S.May, S.Choi, T.P.Logan, B.E.Turk, L.C.Cantley, M.Manolopoulou, W.J.Tang, R.L.Stein, G.D.Cuny, D.J.Selkoe. Designed Inhibitors of Insulin-Degrading Enzyme Regulate the Catabolism and Activity of Insulin. Plos One V. 5 10504 2010.
ISSN: ESSN 1932-6203
PubMed: 20498699
DOI: 10.1371/JOURNAL.PONE.0010504