Atomistry » Zinc » PDB 6n7p-6ngj » 6ng8
Atomistry »
  Zinc »
    PDB 6n7p-6ngj »
      6ng8 »

Zinc in PDB 6ng8: Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with 6-(5-(3-(Dimethylamino)Propyl)-2,3- Difluorophenethyl)-4-Methylpyridin-2-Amine

Enzymatic activity of Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with 6-(5-(3-(Dimethylamino)Propyl)-2,3- Difluorophenethyl)-4-Methylpyridin-2-Amine

All present enzymatic activity of Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with 6-(5-(3-(Dimethylamino)Propyl)-2,3- Difluorophenethyl)-4-Methylpyridin-2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with 6-(5-(3-(Dimethylamino)Propyl)-2,3- Difluorophenethyl)-4-Methylpyridin-2-Amine, PDB code: 6ng8 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) 38.59 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.350, 121.770, 164.440, 90.00, 90.00, 90.00
R / Rfree (%) 18.8 / 23.9

Other elements in 6ng8:

The structure of Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with 6-(5-(3-(Dimethylamino)Propyl)-2,3- Difluorophenethyl)-4-Methylpyridin-2-Amine also contains other interesting chemical elements:

Fluorine (F) 4 atoms
Iron (Fe) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with 6-(5-(3-(Dimethylamino)Propyl)-2,3- Difluorophenethyl)-4-Methylpyridin-2-Amine (pdb code 6ng8). 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 Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with 6-(5-(3-(Dimethylamino)Propyl)-2,3- Difluorophenethyl)-4-Methylpyridin-2-Amine, PDB code: 6ng8:

Zinc binding site 1 out of 1 in 6ng8

Go back to Zinc Binding Sites List in 6ng8
Zinc binding site 1 out of 1 in the Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with 6-(5-(3-(Dimethylamino)Propyl)-2,3- Difluorophenethyl)-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 Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with 6-(5-(3-(Dimethylamino)Propyl)-2,3- Difluorophenethyl)-4-Methylpyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn801

b:34.3
occ:1.00
 SG A:CYS331 2.3 33.3 1.0
SG B:CYS336 2.4 34.5 1.0
SG A:CYS336 2.4 34.5 1.0
SG B:CYS331 2.4 34.7 1.0
CB A:CYS336 3.1 30.9 1.0
CB B:CYS336 3.2 34.8 1.0
CB A:CYS331 3.4 33.6 1.0
CB B:CYS331 3.4 34.3 1.0
CA A:CYS336 3.6 36.0 1.0
CA B:CYS336 3.6 36.8 1.0
N B:MET337 4.0 29.4 1.0
N A:MET337 4.0 39.8 1.0
C A:CYS336 4.2 37.3 1.0
C B:CYS336 4.2 40.9 1.0
N B:GLY338 4.2 33.2 1.0
N A:GLY338 4.2 29.6 1.0
O B:HOH1036 4.4 44.3 1.0
CA B:GLY338 4.6 29.0 1.0
CA A:GLY338 4.6 32.4 1.0
CA A:CYS331 4.8 39.8 1.0
CA B:CYS331 4.8 43.6 1.0
N A:CYS336 4.9 33.3 1.0
N B:CYS336 4.9 28.0 1.0
C B:MET337 4.9 40.4 1.0
O A:HOH1036 4.9 37.1 1.0

Reference:

H.T.Do, H.Li, G.Chreifi, T.L.Poulos, R.B.Silverman. Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having A 2-Aminopyridine Scaffold. J. Med. Chem. V. 62 2690 2019.
ISSN: ISSN 1520-4804
PubMed: 30802056
DOI: 10.1021/ACS.JMEDCHEM.8B02032
Page generated: Wed Dec 16 12:22:36 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy