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Fluorine in PDB 4uga: Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 6-((3-(((2-(3-Fluorophenyl)Ethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine
Enzymatic activity of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 6-((3-(((2-(3-Fluorophenyl)Ethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine
All present enzymatic activity of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 6-((3-(((2-(3-Fluorophenyl)Ethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine:
1.14.13.165;
1.14.13.165;
Protein crystallography data
The structure of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 6-((3-(((2-(3-Fluorophenyl)Ethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine, PDB code: 4uga
was solved by
J.K.Holden,
T.L.Poulos,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 37.80 / 1.90 |
| Space group | P 21 21 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 80.540, 94.445, 63.050, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 17.8 / 21.1 |
Other elements in 4uga:
The structure of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 6-((3-(((2-(3-Fluorophenyl)Ethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine also contains other interesting chemical elements:
| Iron | (Fe) | 1 atom |
| Chlorine | (Cl) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 6-((3-(((2-(3-Fluorophenyl)Ethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine
(pdb code 4uga). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 6-((3-(((2-(3-Fluorophenyl)Ethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine, PDB code: 4uga:
In total only one binding site of Fluorine was determined in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 6-((3-(((2-(3-Fluorophenyl)Ethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine, PDB code: 4uga:
Fluorine binding site 1 out of 1 in 4uga
Go back to
Fluorine Binding Sites List in 4uga
Fluorine binding site 1 out
of 1 in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 6-((3-(((2-(3-Fluorophenyl)Ethyl)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 Bacillus Subtilis Nitric Oxide Synthase in Complex with 6-((3-(((2-(3-Fluorophenyl)Ethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine within 5.0Å range:
|
Reference:
J.K.Holden,
D.Dejam,
M.C.Lewis,
H.Huang,
S.Kang,
Q.Jing,
F.Xue,
R.B.Silverman,
T.L.Poulos.
Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry V. 54 4075 2015.
ISSN: ISSN 0006-2960
PubMed: 26062720
DOI: 10.1021/ACS.BIOCHEM.5B00431
Page generated: Sun Dec 13 12:13:13 2020
ISSN: ISSN 0006-2960
PubMed: 26062720
DOI: 10.1021/ACS.BIOCHEM.5B00431
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