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Fluorine in PDB 6o9o: Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1
Enzymatic activity of Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1
All present enzymatic activity of Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1:
2.1.1.43;
2.1.1.43;
Protein crystallography data
The structure of Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1, PDB code: 6o9o
was solved by
P.A.Elkins,
L.Wang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 56.61 / 1.59 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 61.433, 66.636, 107.340, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 17.2 / 20 |
Other elements in 6o9o:
The structure of Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1 also contains other interesting chemical elements:
| Magnesium | (Mg) | 2 atoms |
| Zinc | (Zn) | 3 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1
(pdb code 6o9o). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1, PDB code: 6o9o:
Jump to Fluorine binding site number: 1; 2; 3;
In total 3 binding sites of Fluorine where determined in the Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1, PDB code: 6o9o:
Jump to Fluorine binding site number: 1; 2; 3;
Fluorine binding site 1 out of 3 in 6o9o
Go back to
Fluorine Binding Sites List in 6o9o
Fluorine binding site 1 out
of 3 in the Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1
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 Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1 within 5.0Å range:
|
Fluorine binding site 2 out of 3 in 6o9o
Go back to
Fluorine Binding Sites List in 6o9o
Fluorine binding site 2 out
of 3 in the Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1
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 Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1 within 5.0Å range:
|
Fluorine binding site 3 out of 3 in 6o9o
Go back to
Fluorine Binding Sites List in 6o9o
Fluorine binding site 3 out
of 3 in the Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1
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 Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1 within 5.0Å range:
|
Reference:
D.-S.Su,
P.A.Elkins.
Discovery of Isoxazole Amides As Potent and Selective SMYD3 Inhibitors To Be Published.
Page generated: Tue Jul 15 13:58:35 2025
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