Zinc in PDB 1r1i: Structural Analysis of Neprilysin with Various Specific and Potent Inhibitors

All present enzymatic activity of Structural Analysis of Neprilysin with Various Specific and Potent Inhibitors:
3.4.24.11;

The structure of Structural Analysis of Neprilysin with Various Specific and Potent Inhibitors, PDB code: 1r1i was solved by C.Oefner, B.P.Roques, M.C.Fournie-Zaluski, G.E.Dale, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.60
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	108.845, 108.845, 113.071, 90.00, 90.00, 120.00
R / Rfree (%)	27.6 / 35.8

The binding sites of Zinc atom in the Structural Analysis of Neprilysin with Various Specific and Potent Inhibitors (pdb code 1r1i). 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 Structural Analysis of Neprilysin with Various Specific and Potent Inhibitors, PDB code: 1r1i:

Zinc binding site 1 out of 1 in the Structural Analysis of Neprilysin with Various Specific and Potent Inhibitors


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structural Analysis of Neprilysin with Various Specific and Potent Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:35.4 occ:1.00 NE2 A:HIS583 1.7 33.4 1.0 O1 A:TI12001 1.8 55.9 1.0 OE1 A:GLU646 1.9 28.6 1.0 NE2 A:HIS587 2.1 37.6 1.0 SG A:TI12001 2.1 54.4 1.0 C1 A:TI12001 2.3 52.4 1.0 CD A:GLU646 2.5 27.0 1.0 OE2 A:GLU646 2.5 29.8 1.0 CE1 A:HIS583 2.6 32.7 1.0 CA1 A:TI12001 2.6 56.1 1.0 CD2 A:HIS583 2.8 34.4 1.0 CD2 A:HIS587 2.9 32.6 1.0 CE1 A:HIS587 3.1 31.9 1.0 N2 A:TI12001 3.4 47.0 1.0 ND1 A:HIS583 3.7 25.7 1.0 CG A:HIS583 3.8 39.8 1.0 CG A:GLU646 3.9 29.2 1.0 CA2 A:TI12001 4.0 42.0 1.0 CB1 A:TI12001 4.0 56.7 1.0 CG A:HIS587 4.1 35.9 1.0 ND1 A:HIS587 4.2 30.4 1.0 NE2 A:HIS711 4.3 37.0 1.0 OE1 A:GLU584 4.4 31.7 1.0 CB A:GLU646 4.6 35.4 1.0 CD2 A:HIS711 4.7 31.1 1.0 CA A:GLU646 4.8 34.9 1.0 C2 A:TI12001 4.8 43.1 1.0 OE2 A:GLU584 4.8 31.9 1.0 CD A:GLU584 4.9 38.1 1.0

C.Oefner, B.P.Roques, M.C.Fournie-Zaluski, G.E.Dale. Structural Analysis of Neprilysin with Various Specific and Potent Inhibitors. Acta Crystallogr.,Sect.D V. 60 392 2004.
ISSN: ISSN 0907-4449
PubMed: 14747736
DOI: 10.1107/S0907444903027410