Atomistry » Zinc » PDB 4u7f-4uh0 » 4uh0
Atomistry »
  Zinc »
    PDB 4u7f-4uh0 »
      4uh0 »

Zinc in PDB 4uh0: Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N1-(6-(2-(6-Amino-4-Methylpyridin-2-Yl) Ethyl)Pyridin-2-Yl)-N1,N2-Dimethylethane-1,2-Diamine

Enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N1-(6-(2-(6-Amino-4-Methylpyridin-2-Yl) Ethyl)Pyridin-2-Yl)-N1,N2-Dimethylethane-1,2-Diamine

All present enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N1-(6-(2-(6-Amino-4-Methylpyridin-2-Yl) Ethyl)Pyridin-2-Yl)-N1,N2-Dimethylethane-1,2-Diamine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N1-(6-(2-(6-Amino-4-Methylpyridin-2-Yl) Ethyl)Pyridin-2-Yl)-N1,N2-Dimethylethane-1,2-Diamine, PDB code: 4uh0 was solved by H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.787 / 2.04
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.203, 111.686, 165.583, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 22.43

Other elements in 4uh0:

The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N1-(6-(2-(6-Amino-4-Methylpyridin-2-Yl) Ethyl)Pyridin-2-Yl)-N1,N2-Dimethylethane-1,2-Diamine also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N1-(6-(2-(6-Amino-4-Methylpyridin-2-Yl) Ethyl)Pyridin-2-Yl)-N1,N2-Dimethylethane-1,2-Diamine (pdb code 4uh0). 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 Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N1-(6-(2-(6-Amino-4-Methylpyridin-2-Yl) Ethyl)Pyridin-2-Yl)-N1,N2-Dimethylethane-1,2-Diamine, PDB code: 4uh0:

Zinc binding site 1 out of 1 in 4uh0

Go back to Zinc Binding Sites List in 4uh0
Zinc binding site 1 out of 1 in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N1-(6-(2-(6-Amino-4-Methylpyridin-2-Yl) Ethyl)Pyridin-2-Yl)-N1,N2-Dimethylethane-1,2-Diamine


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N1-(6-(2-(6-Amino-4-Methylpyridin-2-Yl) Ethyl)Pyridin-2-Yl)-N1,N2-Dimethylethane-1,2-Diamine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn900

b:31.1
occ:1.00
 SG A:CYS331 2.4 34.8 1.0
SG A:CYS326 2.4 38.3 1.0
SG B:CYS326 2.4 36.2 1.0
SG B:CYS331 2.4 35.3 1.0
CB A:CYS331 3.2 35.9 1.0
CB B:CYS331 3.3 37.3 1.0
CB A:CYS326 3.5 31.3 1.0
CB B:CYS326 3.5 35.4 1.0
CA B:CYS331 3.6 39.9 1.0
CA A:CYS331 3.6 41.0 1.0
N A:MET332 4.0 37.1 1.0
N B:MET332 4.1 35.2 1.0
N A:GLY333 4.2 36.0 1.0
C B:CYS331 4.2 38.4 1.0
N B:GLY333 4.2 35.5 1.0
C A:CYS331 4.2 40.7 1.0
CA B:GLY333 4.6 35.1 1.0
CA A:GLY333 4.6 32.7 1.0
CA A:CYS326 4.8 44.8 1.0
CA B:CYS326 4.9 39.7 1.0
O B:HOH2012 4.9 59.5 1.0
N B:CYS331 4.9 41.8 1.0
N A:CYS331 4.9 41.1 1.0
O A:HOH2013 4.9 30.8 1.0
O B:ILE330 5.0 45.0 1.0
O A:HOH2146 5.0 30.8 1.0
C A:MET332 5.0 32.8 1.0

Reference:

S.Kang, H.Li, W.Tang, P.Martasek, L.J.Roman, T.L.Poulos, R.B.Silverman. 2-Aminopyridines with A Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity. J.Med.Chem. V. 58 5548 2015.
ISSN: ISSN 0022-2623
PubMed: 26120733
DOI: 10.1021/ACS.JMEDCHEM.5B00573
Page generated: Wed Aug 20 22:40:06 2025

Last articles

Zn in 5LSV
Zn in 5LSZ
Zn in 5LSY
Zn in 5LSU
Zn in 5LSX
Zn in 5LSS
Zn in 5LSC
Zn in 5LST
Zn in 5LPI
Zn in 5LS3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy