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Fluorine in PDB 6av7: Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with HW69
Enzymatic activity of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with HW69
All present enzymatic activity of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with HW69:
1.14.13.39;
1.14.13.39;
Protein crystallography data
The structure of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with HW69, PDB code: 6av7
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) | 39.03 / 1.92 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 59.445, 152.355, 108.655, 90.00, 90.79, 90.00 |
| R / Rfree (%) | 20.4 / 25.4 |
Other elements in 6av7:
The structure of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with HW69 also contains other interesting chemical elements:
| Zinc | (Zn) | 2 atoms |
| Iron | (Fe) | 4 atoms |
| Gadolinium | (Gd) | 4 atoms |
| Chlorine | (Cl) | 4 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with HW69
(pdb code 6av7). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with HW69, PDB code: 6av7:
Jump to Fluorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Fluorine where determined in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with HW69, PDB code: 6av7:
Jump to Fluorine binding site number: 1; 2; 3; 4;
Fluorine binding site 1 out of 4 in 6av7
Go back to
Fluorine Binding Sites List in 6av7
Fluorine binding site 1 out
of 4 in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with HW69
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 Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with HW69 within 5.0Å range:
|
Fluorine binding site 2 out of 4 in 6av7
Go back to
Fluorine Binding Sites List in 6av7
Fluorine binding site 2 out
of 4 in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with HW69
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 Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with HW69 within 5.0Å range:
|
Fluorine binding site 3 out of 4 in 6av7
Go back to
Fluorine Binding Sites List in 6av7
Fluorine binding site 3 out
of 4 in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with HW69
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 3 of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with HW69 within 5.0Å range:
|
Fluorine binding site 4 out of 4 in 6av7
Go back to
Fluorine Binding Sites List in 6av7
Fluorine binding site 4 out
of 4 in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with HW69
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 4 of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with HW69 within 5.0Å range:
|
Reference:
H.T.Do,
H.Y.Wang,
H.Li,
G.Chreifi,
T.L.Poulos,
R.B.Silverman.
Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with A Fluorobenzene Linker. J. Med. Chem. V. 60 9360 2017.
ISSN: ISSN 1520-4804
PubMed: 29091437
DOI: 10.1021/ACS.JMEDCHEM.7B01356
Page generated: Tue Jul 15 09:48:06 2025
ISSN: ISSN 1520-4804
PubMed: 29091437
DOI: 10.1021/ACS.JMEDCHEM.7B01356
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