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Fluorine in PDB 5pax: Crystal Structure of Factor Viia in Complex with 1-(2,6- Difluorophenyl)-3-[[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl) Pyrazol-1-Yl]Phenyl]Methyl]Urea
Enzymatic activity of Crystal Structure of Factor Viia in Complex with 1-(2,6- Difluorophenyl)-3-[[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl) Pyrazol-1-Yl]Phenyl]Methyl]Urea
All present enzymatic activity of Crystal Structure of Factor Viia in Complex with 1-(2,6- Difluorophenyl)-3-[[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl) Pyrazol-1-Yl]Phenyl]Methyl]Urea:
3.4.21.21;
3.4.21.21;
Protein crystallography data
The structure of Crystal Structure of Factor Viia in Complex with 1-(2,6- Difluorophenyl)-3-[[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl) Pyrazol-1-Yl]Phenyl]Methyl]Urea, PDB code: 5pax
was solved by
M.Stihle,
A.Mayweg,
S.Roever,
M.G.Rudolph,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 32.36 / 1.36 |
| Space group | P 41 21 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 95.240, 95.240, 116.700, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 18.2 / 19.2 |
Other elements in 5pax:
The structure of Crystal Structure of Factor Viia in Complex with 1-(2,6- Difluorophenyl)-3-[[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl) Pyrazol-1-Yl]Phenyl]Methyl]Urea also contains other interesting chemical elements:
| Chlorine | (Cl) | 1 atom |
| Calcium | (Ca) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Factor Viia in Complex with 1-(2,6- Difluorophenyl)-3-[[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl) Pyrazol-1-Yl]Phenyl]Methyl]Urea
(pdb code 5pax). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Factor Viia in Complex with 1-(2,6- Difluorophenyl)-3-[[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl) Pyrazol-1-Yl]Phenyl]Methyl]Urea, PDB code: 5pax:
Jump to Fluorine binding site number: 1; 2;
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Factor Viia in Complex with 1-(2,6- Difluorophenyl)-3-[[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl) Pyrazol-1-Yl]Phenyl]Methyl]Urea, PDB code: 5pax:
Jump to Fluorine binding site number: 1; 2;
Fluorine binding site 1 out of 2 in 5pax
Go back to
Fluorine Binding Sites List in 5pax
Fluorine binding site 1 out
of 2 in the Crystal Structure of Factor Viia in Complex with 1-(2,6- Difluorophenyl)-3-[[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl) Pyrazol-1-Yl]Phenyl]Methyl]Urea
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 Factor Viia in Complex with 1-(2,6- Difluorophenyl)-3-[[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl) Pyrazol-1-Yl]Phenyl]Methyl]Urea within 5.0Å range:
|
Fluorine binding site 2 out of 2 in 5pax
Go back to
Fluorine Binding Sites List in 5pax
Fluorine binding site 2 out
of 2 in the Crystal Structure of Factor Viia in Complex with 1-(2,6- Difluorophenyl)-3-[[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl) Pyrazol-1-Yl]Phenyl]Methyl]Urea
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 Factor Viia in Complex with 1-(2,6- Difluorophenyl)-3-[[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl) Pyrazol-1-Yl]Phenyl]Methyl]Urea within 5.0Å range:
|
Reference:
A.Mayweg,
S.Roever,
M.G.Rudolph.
Crystal Structure of A Factor Viia Complex To Be Published.
Page generated: Thu Aug 1 12:46:05 2024
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