Atomistry » Zinc » PDB 5fvw-5fz7 » 5fw0
Atomistry »
  Zinc »
    PDB 5fvw-5fz7 »
      5fw0 »

Zinc in PDB 5fw0: Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(2-(5-((2-Methoxyethyl)(Methyl)Amino) Pyridin-3-Yl)Ethyl)-4-Methylpyridin-2-Amine

Enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(2-(5-((2-Methoxyethyl)(Methyl)Amino) Pyridin-3-Yl)Ethyl)-4-Methylpyridin-2-Amine

All present enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(2-(5-((2-Methoxyethyl)(Methyl)Amino) Pyridin-3-Yl)Ethyl)-4-Methylpyridin-2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(2-(5-((2-Methoxyethyl)(Methyl)Amino) Pyridin-3-Yl)Ethyl)-4-Methylpyridin-2-Amine, PDB code: 5fw0 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) 66.131 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.100, 111.220, 164.500, 90.00, 90.00, 90.00
R / Rfree (%) 19.06 / 22.45

Other elements in 5fw0:

The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(2-(5-((2-Methoxyethyl)(Methyl)Amino) Pyridin-3-Yl)Ethyl)-4-Methylpyridin-2-Amine 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 6-(2-(5-((2-Methoxyethyl)(Methyl)Amino) Pyridin-3-Yl)Ethyl)-4-Methylpyridin-2-Amine (pdb code 5fw0). 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 6-(2-(5-((2-Methoxyethyl)(Methyl)Amino) Pyridin-3-Yl)Ethyl)-4-Methylpyridin-2-Amine, PDB code: 5fw0:

Zinc binding site 1 out of 1 in 5fw0

Go back to Zinc Binding Sites List in 5fw0
Zinc binding site 1 out of 1 in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(2-(5-((2-Methoxyethyl)(Methyl)Amino) Pyridin-3-Yl)Ethyl)-4-Methylpyridin-2-Amine


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 6-(2-(5-((2-Methoxyethyl)(Methyl)Amino) Pyridin-3-Yl)Ethyl)-4-Methylpyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn900

b:30.4
occ:1.00
 SG A:CYS326 2.4 41.6 1.0
SG B:CYS326 2.4 34.7 1.0
SG A:CYS331 2.4 35.8 1.0
SG B:CYS331 2.4 36.4 1.0
CB A:CYS331 3.2 31.6 1.0
CB B:CYS331 3.3 37.5 1.0
CB B:CYS326 3.4 36.2 1.0
CB A:CYS326 3.4 46.0 1.0
CA A:CYS331 3.5 37.5 1.0
CA B:CYS331 3.6 29.8 1.0
N A:MET332 4.0 32.8 1.0
N B:MET332 4.0 30.4 1.0
N A:GLY333 4.2 36.1 1.0
C A:CYS331 4.2 40.7 1.0
N B:GLY333 4.2 36.5 1.0
C B:CYS331 4.2 34.2 1.0
CA A:GLY333 4.6 35.7 1.0
CA B:GLY333 4.6 34.8 1.0
CA A:CYS326 4.7 46.7 1.0
CA B:CYS326 4.7 43.3 1.0
O A:HOH2011 4.8 49.6 1.0
N A:CYS331 4.8 39.2 1.0
O B:HOH2010 4.9 43.5 1.0
N B:CYS331 4.9 32.9 1.0
O B:ILE330 4.9 46.8 1.0
C A:MET332 5.0 33.4 1.0
O A:HOH2014 5.0 42.6 1.0

Reference:

H.Wang, Y.Qin, H.Li, L.J.Roman, P.Martasek, T.L.Poulos, R.B.Silverman. Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition By Optimization of the 2-Aminopyridine-Based Scaffold with A Pyridine Linker. J.Med.Chem. V. 59 4913 2016.
ISSN: ISSN 0022-2623
PubMed: 27050842
DOI: 10.1021/ACS.JMEDCHEM.6B00273
Page generated: Sun Oct 27 16:34:57 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy