Fluorine in PDB 7p4u: Crystal Structure of Pqsr (Mvfr) Ligand-Binding Domain in Complex with 3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole
Protein crystallography data
The structure of Crystal Structure of Pqsr (Mvfr) Ligand-Binding Domain in Complex with 3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole, PDB code: 7p4u
was solved by
S.Schmelz,
W.Blankenfeldt,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 60.16 / 2.74 |
| Space group | P 65 2 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 120.319, 120.319, 115.201, 90, 90, 120 |
| R / Rfree (%) | 24.6 / 27.5 |
Other elements in 7p4u:
The structure of Crystal Structure of Pqsr (Mvfr) Ligand-Binding Domain in Complex with 3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole also contains other interesting chemical elements:
| Chlorine | (Cl) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Pqsr (Mvfr) Ligand-Binding Domain in Complex with 3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole
(pdb code 7p4u). 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 Pqsr (Mvfr) Ligand-Binding Domain in Complex with 3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole, PDB code: 7p4u:
Jump to Fluorine binding site number: 1; 2; 3;
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Pqsr (Mvfr) Ligand-Binding Domain in Complex with 3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole, PDB code: 7p4u:
Jump to Fluorine binding site number: 1; 2; 3;
Fluorine binding site 1 out of 3 in 7p4u
Go back to
Fluorine Binding Sites List in 7p4u
Fluorine binding site 1 out
of 3 in the Crystal Structure of Pqsr (Mvfr) Ligand-Binding Domain in Complex with 3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole
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 Pqsr (Mvfr) Ligand-Binding Domain in Complex with 3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole within 5.0Å range:
|
Fluorine binding site 2 out of 3 in 7p4u
Go back to
Fluorine Binding Sites List in 7p4u
Fluorine binding site 2 out
of 3 in the Crystal Structure of Pqsr (Mvfr) Ligand-Binding Domain in Complex with 3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole
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 Pqsr (Mvfr) Ligand-Binding Domain in Complex with 3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole within 5.0Å range:
|
Fluorine binding site 3 out of 3 in 7p4u
Go back to
Fluorine Binding Sites List in 7p4u
Fluorine binding site 3 out
of 3 in the Crystal Structure of Pqsr (Mvfr) Ligand-Binding Domain in Complex with 3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole
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 Pqsr (Mvfr) Ligand-Binding Domain in Complex with 3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole within 5.0Å range:
|
Reference:
W.Blankenfeldt,
S.Schmelz.
Divergent Synthesis and Biological Evaluation of 2-(Trifluoromethyl)Pyridines As Virulence-Attenuating Inverse Agonists Targeting Pqsr To Be Published.
Page generated: Fri Aug 2 10:56:04 2024
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