Fluorine in PDB 6yh9: Crystal Structure of Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide
Enzymatic activity of Crystal Structure of Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide
All present enzymatic activity of Crystal Structure of Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide:
4.2.1.1;
4.2.1.1;
Protein crystallography data
The structure of Crystal Structure of Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide, PDB code: 6yh9
was solved by
A.Smirnov,
E.Manakova,
S.Grazulis,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 40.62 / 1.55 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 41.734, 40.869, 70.92, 90, 103.34, 90 |
| R / Rfree (%) | 16.6 / 20.4 |
Other elements in 6yh9:
The structure of Crystal Structure of Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide also contains other interesting chemical elements:
| Zinc | (Zn) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide
(pdb code 6yh9). 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 Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide, PDB code: 6yh9:
Jump to Fluorine binding site number: 1; 2; 3;
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide, PDB code: 6yh9:
Jump to Fluorine binding site number: 1; 2; 3;
Fluorine binding site 1 out of 3 in 6yh9
Go back to
Fluorine Binding Sites List in 6yh9
Fluorine binding site 1 out
of 3 in the Crystal Structure of Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide
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 Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide within 5.0Å range:
|
Fluorine binding site 2 out of 3 in 6yh9
Go back to
Fluorine Binding Sites List in 6yh9
Fluorine binding site 2 out
of 3 in the Crystal Structure of Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide
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 Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide within 5.0Å range:
|
Fluorine binding site 3 out of 3 in 6yh9
Go back to
Fluorine Binding Sites List in 6yh9
Fluorine binding site 3 out
of 3 in the Crystal Structure of Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide
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 Chimeric Carbonic Anhydrase XII with 2,3,6- Trifluoro-5-{[(1R,2S)-2-Hydroxy-1,2-Diphenylethyl]Amino}-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide within 5.0Å range:
|
Reference:
A.Smirnov,
E.Manakova,
S.Grazulis.
Crystal Structure of Chimeric Carbonic Anhydrase XII with 2,3,6-Trifluoro-5-{[(1R,2S)-2-Hydroxy-1, 2-Diphenylethyl]Amino}-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide To Be Published.
Page generated: Sat Apr 17 15:34:34 2021
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