Zinc in PDB 1y8j: Crystal Structure of Human Nep Complexed with An Imidazo[4,5- C]Pyridine Inhibitor

All present enzymatic activity of Crystal Structure of Human Nep Complexed with An Imidazo[4,5- C]Pyridine Inhibitor:
3.4.24.11;

The structure of Crystal Structure of Human Nep Complexed with An Imidazo[4,5- C]Pyridine Inhibitor, PDB code: 1y8j was solved by S.Sahli, B.Frank, W.B.Schweizer, F.Diederich, D.Blum-Kaelin, J.D.Aebi, H.J.Bohm, C.Oefner, G.E.Dale, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.25
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	107.355, 107.356, 112.466, 90.00, 90.00, 120.00
R / Rfree (%)	22.6 / 29.6

The binding sites of Zinc atom in the Crystal Structure of Human Nep Complexed with An Imidazo[4,5- C]Pyridine Inhibitor (pdb code 1y8j). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Human Nep Complexed with An Imidazo[4,5- C]Pyridine Inhibitor, PDB code: 1y8j:

Zinc binding site 1 out of 1 in the Crystal Structure of Human Nep Complexed with An Imidazo[4,5- C]Pyridine Inhibitor


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 Nep Complexed with An Imidazo[4,5- C]Pyridine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn800 b:22.0 occ:1.00 NE2 A:HIS583 1.9 12.1 1.0 NE2 A:HIS587 2.0 38.0 1.0 OE1 A:GLU646 2.1 16.1 1.0 S10 A:STS900 2.2 25.0 1.0 CE1 A:HIS587 2.7 36.4 1.0 CD A:GLU646 2.8 13.0 1.0 OE2 A:GLU646 2.8 15.9 1.0 CE1 A:HIS583 2.9 16.8 1.0 CD2 A:HIS583 2.9 15.0 1.0 C2 A:STS900 3.2 24.1 1.0 CD2 A:HIS587 3.3 37.9 1.0 C1 A:STS900 3.6 24.9 1.0 ND1 A:HIS587 3.9 38.4 1.0 ND1 A:HIS583 3.9 14.6 1.0 CG A:HIS583 4.0 15.3 1.0 CG A:HIS587 4.2 32.7 1.0 OE2 A:GLU584 4.2 17.3 1.0 CG A:GLU646 4.3 14.1 1.0 NE2 A:HIS711 4.3 15.7 1.0 C11 A:STS900 4.5 25.5 1.0 CD2 A:HIS711 4.5 20.2 1.0 CB A:ALA649 4.8 20.0 1.0 N12 A:STS900 4.8 25.4 1.0 C3 A:STS900 4.8 25.6 1.0 CB A:GLU646 4.9 14.4 1.0 CA A:GLU646 4.9 16.5 1.0 OE1 A:GLU584 4.9 22.1 1.0 CD A:GLU584 4.9 21.2 1.0

S.Sahli, B.Frank, W.B.Schweizer, F.Diederich, D.Blum-Kaelin, J.D.Aebi, H.J.Bohm, C.Oefner, G.E.Dale. Second-Generation Inhibitors For the Metalloprotease Neprilysin Based on Bicyclic Heteroaromatic Scaffolds: Synthesis, Biological Activity, and X-Ray Crystal Structure Analysis Helv.Chim.Acta V. 88 731 2005.
ISSN: ISSN 0018-019X
DOI: 10.1002/HLCA.200590051