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Fluorine in PDB 5mvd: Crystal Structure of Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on Hydroxylated Azole Scaffolds
Enzymatic activity of Crystal Structure of Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on Hydroxylated Azole Scaffolds
All present enzymatic activity of Crystal Structure of Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on Hydroxylated Azole Scaffolds:
1.3.5.2;
1.3.5.2;
Protein crystallography data
The structure of Crystal Structure of Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on Hydroxylated Azole Scaffolds, PDB code: 5mvd
was solved by
P.Goyal,
M.Andersson,
A.C.Moritzer,
S.Sainas,
A.C.Pippione,
D.Boschi,
S.Al-Kadaraghi,
M.Lolli,
R.Friemann,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 30.43 / 1.95 |
| Space group | P 32 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 90.850, 90.850, 122.924, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 16.7 / 20.2 |
Other elements in 5mvd:
The structure of Crystal Structure of Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on Hydroxylated Azole Scaffolds also contains other interesting chemical elements:
| Chlorine | (Cl) | 3 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on Hydroxylated Azole Scaffolds
(pdb code 5mvd). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on Hydroxylated Azole Scaffolds, PDB code: 5mvd:
Jump to Fluorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on Hydroxylated Azole Scaffolds, PDB code: 5mvd:
Jump to Fluorine binding site number: 1; 2; 3; 4;
Fluorine binding site 1 out of 4 in 5mvd
Go back to
Fluorine Binding Sites List in 5mvd
Fluorine binding site 1 out
of 4 in the Crystal Structure of Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on Hydroxylated Azole Scaffolds
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 Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on Hydroxylated Azole Scaffolds within 5.0Å range:
|
Fluorine binding site 2 out of 4 in 5mvd
Go back to
Fluorine Binding Sites List in 5mvd
Fluorine binding site 2 out
of 4 in the Crystal Structure of Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on Hydroxylated Azole Scaffolds
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 Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on Hydroxylated Azole Scaffolds within 5.0Å range:
|
Fluorine binding site 3 out of 4 in 5mvd
Go back to
Fluorine Binding Sites List in 5mvd
Fluorine binding site 3 out
of 4 in the Crystal Structure of Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on Hydroxylated Azole Scaffolds
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 Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on Hydroxylated Azole Scaffolds within 5.0Å range:
|
Fluorine binding site 4 out of 4 in 5mvd
Go back to
Fluorine Binding Sites List in 5mvd
Fluorine binding site 4 out
of 4 in the Crystal Structure of Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on Hydroxylated Azole Scaffolds
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 Crystal Structure of Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on Hydroxylated Azole Scaffolds within 5.0Å range:
|
Reference:
S.Sainas,
A.C.Pippione,
M.Giorgis,
E.Lupino,
P.Goyal,
C.Ramondetti,
B.Buccinna,
M.Piccinini,
R.C.Braga,
C.H.Andrade,
M.Andersson,
A.C.Moritzer,
R.Friemann,
S.Mensa,
S.Al-Kadaraghi,
D.Boschi,
M.L.Lolli.
Design, Synthesis, Biological Evaluation and X-Ray Structural Studies of Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on Hydroxylated Azole Scaffolds. Eur J Med Chem V. 129 287 2017.
ISSN: ISSN 1768-3254
PubMed: 28235702
DOI: 10.1016/J.EJMECH.2017.02.017
Page generated: Thu Aug 1 11:51:35 2024
ISSN: ISSN 1768-3254
PubMed: 28235702
DOI: 10.1016/J.EJMECH.2017.02.017
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