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Fluorine in PDB 8dhf: Dhodh in Complex with Ligand 11
Enzymatic activity of Dhodh in Complex with Ligand 11
All present enzymatic activity of Dhodh in Complex with Ligand 11:
1.3.5.2;
1.3.5.2;
Protein crystallography data
The structure of Dhodh in Complex with Ligand 11, PDB code: 8dhf
was solved by
P.L.Shaffer,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 78.68 / 1.78 |
| Space group | P 32 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 90.85, 90.85, 123.667, 90, 90, 120 |
| R / Rfree (%) | 16.2 / 18.1 |
Other elements in 8dhf:
The structure of Dhodh in Complex with Ligand 11 also contains other interesting chemical elements:
| Chlorine | (Cl) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Dhodh in Complex with Ligand 11
(pdb code 8dhf). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 5 binding sites of Fluorine where determined in the Dhodh in Complex with Ligand 11, PDB code: 8dhf:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5;
In total 5 binding sites of Fluorine where determined in the Dhodh in Complex with Ligand 11, PDB code: 8dhf:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5;
Fluorine binding site 1 out of 5 in 8dhf
Go back to
Fluorine Binding Sites List in 8dhf
Fluorine binding site 1 out
of 5 in the Dhodh in Complex with Ligand 11
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 Dhodh in Complex with Ligand 11 within 5.0Å range:
|
Fluorine binding site 2 out of 5 in 8dhf
Go back to
Fluorine Binding Sites List in 8dhf
Fluorine binding site 2 out
of 5 in the Dhodh in Complex with Ligand 11
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 Dhodh in Complex with Ligand 11 within 5.0Å range:
|
Fluorine binding site 3 out of 5 in 8dhf
Go back to
Fluorine Binding Sites List in 8dhf
Fluorine binding site 3 out
of 5 in the Dhodh in Complex with Ligand 11
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 Dhodh in Complex with Ligand 11 within 5.0Å range:
|
Fluorine binding site 4 out of 5 in 8dhf
Go back to
Fluorine Binding Sites List in 8dhf
Fluorine binding site 4 out
of 5 in the Dhodh in Complex with Ligand 11
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 Dhodh in Complex with Ligand 11 within 5.0Å range:
|
Fluorine binding site 5 out of 5 in 8dhf
Go back to
Fluorine Binding Sites List in 8dhf
Fluorine binding site 5 out
of 5 in the Dhodh in Complex with Ligand 11
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 5 of Dhodh in Complex with Ligand 11 within 5.0Å range:
|
Reference:
J.S.Cisar,
C.Pietsch,
L.G.Deratt,
E.Jacoby,
F.Kazmi,
C.Keohane,
K.Legenski,
R.Matico,
P.Shaffer,
Y.Simonnet,
A.Tanner,
C.Y.Wang,
W.Wang,
R.Attar,
J.P.Edwards,
S.D.Kuduk.
N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of Dhodh For the Treatment of Acute Myelogenous Leukemia. J.Med.Chem. V. 65 11241 2022.
ISSN: ISSN 0022-2623
PubMed: 35925768
DOI: 10.1021/ACS.JMEDCHEM.2C00788
Page generated: Wed Jul 16 03:25:24 2025
ISSN: ISSN 0022-2623
PubMed: 35925768
DOI: 10.1021/ACS.JMEDCHEM.2C00788
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