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Fluorine in PDB 4jsi: Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((3-(((3-Fluorophenethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine
Enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((3-(((3-Fluorophenethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine
All present enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((3-(((3-Fluorophenethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine:
1.14.13.39;
1.14.13.39;
Protein crystallography data
The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((3-(((3-Fluorophenethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine, PDB code: 4jsi
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) | 40.70 / 2.09 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 51.597, 110.778, 164.565, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 19.3 / 24.1 |
Other elements in 4jsi:
The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((3-(((3-Fluorophenethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine also contains other interesting chemical elements:
| Iron | (Fe) | 2 atoms |
| Zinc | (Zn) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((3-(((3-Fluorophenethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine
(pdb code 4jsi). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((3-(((3-Fluorophenethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine, PDB code: 4jsi:
Jump to Fluorine binding site number: 1; 2;
In total 2 binding sites of Fluorine where determined in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((3-(((3-Fluorophenethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine, PDB code: 4jsi:
Jump to Fluorine binding site number: 1; 2;
Fluorine binding site 1 out of 2 in 4jsi
Go back to
Fluorine Binding Sites List in 4jsi
Fluorine binding site 1 out
of 2 in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((3-(((3-Fluorophenethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((3-(((3-Fluorophenethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine within 5.0Å range:
|
Fluorine binding site 2 out of 2 in 4jsi
Go back to
Fluorine Binding Sites List in 4jsi
Fluorine binding site 2 out
of 2 in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((3-(((3-Fluorophenethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((3-(((3-Fluorophenethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine within 5.0Å range:
|
Reference:
Q.Jing,
H.Li,
J.Fang,
L.J.Roman,
P.Martasek,
T.L.Poulos,
R.B.Silverman.
In Search of Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase with More Simple Structures. Bioorg.Med.Chem. V. 21 5323 2013.
ISSN: ISSN 0968-0896
PubMed: 23867386
DOI: 10.1016/J.BMC.2013.06.014
Page generated: Thu Aug 1 02:58:35 2024
ISSN: ISSN 0968-0896
PubMed: 23867386
DOI: 10.1016/J.BMC.2013.06.014
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