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Fluorine in PDB 5acx: Vim-2-2, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening
Enzymatic activity of Vim-2-2, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening
All present enzymatic activity of Vim-2-2, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening:
3.5.2.6;
3.5.2.6;
Protein crystallography data
The structure of Vim-2-2, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening, PDB code: 5acx
was solved by
T.Christopeit,
T.J.O.Carlsen,
R.Helland,
H.K.S.Leiros,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 39.61 / 1.80 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 101.230, 79.220, 67.640, 90.00, 130.18, 90.00 |
| R / Rfree (%) | 14.5 / 19.3 |
Other elements in 5acx:
The structure of Vim-2-2, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening also contains other interesting chemical elements:
| Zinc | (Zn) | 6 atoms |
| Chlorine | (Cl) | 4 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Vim-2-2, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening
(pdb code 5acx). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Vim-2-2, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening, PDB code: 5acx:
Jump to Fluorine binding site number: 1; 2;
In total 2 binding sites of Fluorine where determined in the Vim-2-2, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening, PDB code: 5acx:
Jump to Fluorine binding site number: 1; 2;
Fluorine binding site 1 out of 2 in 5acx
Go back to
Fluorine Binding Sites List in 5acx
Fluorine binding site 1 out
of 2 in the Vim-2-2, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening
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 Vim-2-2, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening within 5.0Å range:
|
Fluorine binding site 2 out of 2 in 5acx
Go back to
Fluorine Binding Sites List in 5acx
Fluorine binding site 2 out
of 2 in the Vim-2-2, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening
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 Vim-2-2, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening within 5.0Å range:
|
Reference:
T.Christopeit,
T.J.O.Carlsen,
R.Helland,
H.K.S.Leiros.
Discovery of Novel Inhibitor Scaffolds Against the Metallo-Beta-Lactamase Vim-2 By Spr Based Fragment Screening J.Med.Chem. V. 58 8671 2015.
ISSN: ISSN 0022-2623
PubMed: 26477515
DOI: 10.1021/ACS.JMEDCHEM.5B01289
Page generated: Thu Aug 1 07:40:29 2024
ISSN: ISSN 0022-2623
PubMed: 26477515
DOI: 10.1021/ACS.JMEDCHEM.5B01289
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