Zinc in PDB 2qpj: Human Nep Complexed with A Bifunctional Nep/Dpp IV Inhibitor

All present enzymatic activity of Human Nep Complexed with A Bifunctional Nep/Dpp IV Inhibitor:
3.4.24.11;

The structure of Human Nep Complexed with A Bifunctional Nep/Dpp IV Inhibitor, PDB code: 2qpj was solved by 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 / 2.05
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	107.123, 107.123, 112.375, 90.00, 90.00, 120.00
R / Rfree (%)	20.7 / 26.8

The binding sites of Zinc atom in the Human Nep Complexed with A Bifunctional Nep/Dpp IV Inhibitor (pdb code 2qpj). 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 Human Nep Complexed with A Bifunctional Nep/Dpp IV Inhibitor, PDB code: 2qpj:

Zinc binding site 1 out of 1 in the Human Nep Complexed with A Bifunctional Nep/Dpp IV Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Nep Complexed with A Bifunctional Nep/Dpp IV Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1 b:29.0 occ:1.00 NE2 A:HIS583 1.9 21.8 1.0 OE1 A:GLU646 2.1 22.4 1.0 O6 A:I20755 2.1 28.4 1.0 NE2 A:HIS587 2.1 32.9 1.0 O5 A:I20755 2.6 30.0 1.0 P4 A:I20755 2.7 28.7 1.0 CE1 A:HIS583 2.8 24.1 1.0 CD A:GLU646 2.8 23.3 1.0 OE2 A:GLU646 2.9 23.3 1.0 CD2 A:HIS583 3.0 22.8 1.0 CE1 A:HIS587 3.1 31.6 1.0 CD2 A:HIS587 3.1 32.3 1.0 C7 A:I20755 3.8 27.3 1.0 NE2 A:HIS711 3.9 24.3 1.0 C8 A:I20755 3.9 26.7 1.0 ND1 A:HIS583 4.0 22.4 1.0 N3 A:I20755 4.0 31.6 1.0 C2 A:I20755 4.1 30.1 1.0 CG A:HIS583 4.1 23.2 1.0 ND1 A:HIS587 4.2 31.1 1.0 CD2 A:HIS711 4.2 25.1 1.0 CG A:HIS587 4.2 31.4 1.0 O A:HOH895 4.3 27.8 1.0 CG A:GLU646 4.3 24.1 1.0 O33 A:I20755 4.3 23.7 1.0 C10 A:I20755 4.4 26.4 1.0 OE1 A:GLU584 4.7 24.5 1.0 CB A:ALA649 4.8 28.0 1.0 CA A:GLU646 4.8 26.4 1.0 C30 A:I20755 4.8 34.0 1.0 CB A:GLU646 4.8 25.2 1.0 C27 A:I20755 4.9 38.8 1.0 OE2 A:GLU584 5.0 24.4 1.0 C1 A:I20755 5.0 30.7 1.0

C.Oefner, S.Pierau, H.Schulz, G.E.Dale. Structural Studies of A Bifunctional Inhibitor of Neprilysin and Dpp-IV. Acta Crystallogr.,Sect.D V. 63 975 2007.
ISSN: ISSN 0907-4449
PubMed: 17704566
DOI: 10.1107/S0907444907036281