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Fluorine in PDB 7k6z: Carbonic Anhydrase IX Mimic Complexed with 4-(2-(3-(4-Fluorophenyl) Ureido)Ethylsulfonamido)Benzenesulfonamide
Enzymatic activity of Carbonic Anhydrase IX Mimic Complexed with 4-(2-(3-(4-Fluorophenyl) Ureido)Ethylsulfonamido)Benzenesulfonamide
All present enzymatic activity of Carbonic Anhydrase IX Mimic Complexed with 4-(2-(3-(4-Fluorophenyl) Ureido)Ethylsulfonamido)Benzenesulfonamide:
4.2.1.1;
4.2.1.1;
Protein crystallography data
The structure of Carbonic Anhydrase IX Mimic Complexed with 4-(2-(3-(4-Fluorophenyl) Ureido)Ethylsulfonamido)Benzenesulfonamide, PDB code: 7k6z
was solved by
J.T.Andring,
S.Singh,
R.Mckenna,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 32.11 / 1.66 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 42.129, 41.506, 72.264, 90.00, 103.95, 90.00 |
| R / Rfree (%) | 18.4 / 21.2 |
Other elements in 7k6z:
The structure of Carbonic Anhydrase IX Mimic Complexed with 4-(2-(3-(4-Fluorophenyl) Ureido)Ethylsulfonamido)Benzenesulfonamide also contains other interesting chemical elements:
| Zinc | (Zn) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Carbonic Anhydrase IX Mimic Complexed with 4-(2-(3-(4-Fluorophenyl) Ureido)Ethylsulfonamido)Benzenesulfonamide
(pdb code 7k6z). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Carbonic Anhydrase IX Mimic Complexed with 4-(2-(3-(4-Fluorophenyl) Ureido)Ethylsulfonamido)Benzenesulfonamide, PDB code: 7k6z:
In total only one binding site of Fluorine was determined in the Carbonic Anhydrase IX Mimic Complexed with 4-(2-(3-(4-Fluorophenyl) Ureido)Ethylsulfonamido)Benzenesulfonamide, PDB code: 7k6z:
Fluorine binding site 1 out of 1 in 7k6z
Go back to
Fluorine Binding Sites List in 7k6z
Fluorine binding site 1 out
of 1 in the Carbonic Anhydrase IX Mimic Complexed with 4-(2-(3-(4-Fluorophenyl) Ureido)Ethylsulfonamido)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 Carbonic Anhydrase IX Mimic Complexed with 4-(2-(3-(4-Fluorophenyl) Ureido)Ethylsulfonamido)Benzenesulfonamide within 5.0Å range:
|
Reference:
O.Akgul,
S.Singh,
J.T.Andring,
R.Mckenna,
S.Selleri,
F.Carta,
A.Angeli,
C.T.Supuran.
Handling Drug-Target Selectivity: A Study on Ureido Containing Carbonic Anhydrase Inhibitors. Eur.J.Med.Chem. 13035 2020.
ISSN: ISSN 0223-5234
PubMed: 33303238
DOI: 10.1016/J.EJMECH.2020.113035
Page generated: Fri Aug 2 08:16:37 2024
ISSN: ISSN 0223-5234
PubMed: 33303238
DOI: 10.1016/J.EJMECH.2020.113035
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