Fluorine in PDB 8cr0: Crystal Structure of Human Carbonic Anhydrase II in Complex with A Triazolyl Benzoxaborole Inhibitor
Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with A Triazolyl Benzoxaborole Inhibitor
All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with A Triazolyl Benzoxaborole Inhibitor:
4.2.1.1;
4.2.1.1;
Protein crystallography data
The structure of Crystal Structure of Human Carbonic Anhydrase II in Complex with A Triazolyl Benzoxaborole Inhibitor, PDB code: 8cr0
was solved by
V.Alterio,
G.De Simone,
D.Esposito,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 35.60 / 1.22 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 42.402, 41.349, 71.996, 90, 104.26, 90 |
| R / Rfree (%) | 14.4 / 17.9 |
Other elements in 8cr0:
The structure of Crystal Structure of Human Carbonic Anhydrase II in Complex with A Triazolyl Benzoxaborole Inhibitor also contains other interesting chemical elements:
| Zinc | (Zn) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Human Carbonic Anhydrase II in Complex with A Triazolyl Benzoxaborole Inhibitor
(pdb code 8cr0). 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 Crystal Structure of Human Carbonic Anhydrase II in Complex with A Triazolyl Benzoxaborole Inhibitor, PDB code: 8cr0:
In total only one binding site of Fluorine was determined in the Crystal Structure of Human Carbonic Anhydrase II in Complex with A Triazolyl Benzoxaborole Inhibitor, PDB code: 8cr0:
Fluorine binding site 1 out of 1 in 8cr0
Go back to
Fluorine Binding Sites List in 8cr0
Fluorine binding site 1 out
of 1 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with A Triazolyl Benzoxaborole Inhibitor
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 Human Carbonic Anhydrase II in Complex with A Triazolyl Benzoxaborole Inhibitor within 5.0Å range:
|
Reference:
A.Nocentini,
A.Bonardi,
C.Bazzicalupi,
V.Alterio,
D.Esposito,
S.M.Monti,
M.Smietana,
G.De Simone,
C.T.Supuran,
P.Gratteri,
J.Y.Winum.
6-Substituted Triazolyl Benzoxaboroles As Selective Carbonic Anhydrase Inhibitors: in Silico Design, Synthesis, and X-Ray Crystallography. J.Med.Chem. 2023.
ISSN: ISSN 0022-2623
PubMed: 37283561
DOI: 10.1021/ACS.JMEDCHEM.3C00433
Page generated: Fri Aug 2 17:16:40 2024
ISSN: ISSN 0022-2623
PubMed: 37283561
DOI: 10.1021/ACS.JMEDCHEM.3C00433
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