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Fluorine in PDB 2weo: Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
Enzymatic activity of Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
All present enzymatic activity of Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors:
4.2.1.1;
4.2.1.1;
Protein crystallography data
The structure of Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors, PDB code: 2weo
was solved by
A.D.Scott,
C.Phillips,
A.Alex,
A.Bent,
R.O'brien,
L.Damian,
L.H.Jones,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 19.96 / 1.40 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 42.511, 41.291, 74.008, 90.00, 109.50, 90.00 |
| R / Rfree (%) | 16.7 / 18.5 |
Other elements in 2weo:
The structure of Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors also contains other interesting chemical elements:
| Zinc | (Zn) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
(pdb code 2weo). 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 Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors, PDB code: 2weo:
In total only one binding site of Fluorine was determined in the Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors, PDB code: 2weo:
Fluorine binding site 1 out of 1 in 2weo
Go back to
Fluorine Binding Sites List in 2weo
Fluorine binding site 1 out
of 1 in the Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
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 Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors within 5.0Å range:
|
Reference:
A.D.Scott,
C.Phillips,
A.Alex,
M.Flocco,
A.Bent,
A.Randall,
R.O'brien,
L.Damian,
L.H.Jones.
Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem V. 4 1985 2009.
ISSN: ISSN 1860-7179
PubMed: 19882701
DOI: 10.1002/CMDC.200900386
Page generated: Mon Jul 14 14:38:43 2025
ISSN: ISSN 1860-7179
PubMed: 19882701
DOI: 10.1002/CMDC.200900386
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