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;

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:

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

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:
probe atom residue distance (Å) B Occ
A:F303

b:68.4
occ:1.00
 F20 A:VZD303 0.0 68.4 1.0
C17 A:VZD303 1.4 68.5 1.0
C18 A:VZD303 2.4 66.0 1.0
C16 A:VZD303 2.4 66.7 1.0
C19 A:VZD303 3.7 61.8 1.0
O A:HOH497 3.7 33.5 1.0
C15 A:VZD303 3.8 64.6 1.0
C14 A:VZD303 4.2 61.9 1.0
CA A:GLY132 4.6 18.9 1.0
O A:HOH422 4.7 37.4 1.0

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

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