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Fluorine in PDB 6u5m: Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction
Protein crystallography data
The structure of Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction, PDB code: 6u5m
was solved by
B.Zhao,
F.Wang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 29.85 / 1.80 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 134.390, 46.672, 112.517, 90.00, 117.30, 90.00 |
| R / Rfree (%) | 16.3 / 18.6 |
Other elements in 6u5m:
The structure of Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction also contains other interesting chemical elements:
| Bromine | (Br) | 2 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction
(pdb code 6u5m). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 10 binding sites of Fluorine where determined in the Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction, PDB code: 6u5m:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;
In total 10 binding sites of Fluorine where determined in the Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction, PDB code: 6u5m:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;
Fluorine binding site 1 out of 10 in 6u5m
Go back to
Fluorine Binding Sites List in 6u5m
Fluorine binding site 1 out
of 10 in the Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction
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 Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction within 5.0Å range:
|
Fluorine binding site 2 out of 10 in 6u5m
Go back to
Fluorine Binding Sites List in 6u5m
Fluorine binding site 2 out
of 10 in the Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction
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 Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction within 5.0Å range:
|
Fluorine binding site 3 out of 10 in 6u5m
Go back to
Fluorine Binding Sites List in 6u5m
Fluorine binding site 3 out
of 10 in the Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction
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 3 of Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction within 5.0Å range:
|
Fluorine binding site 4 out of 10 in 6u5m
Go back to
Fluorine Binding Sites List in 6u5m
Fluorine binding site 4 out
of 10 in the Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction
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 4 of Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction within 5.0Å range:
|
Fluorine binding site 5 out of 10 in 6u5m
Go back to
Fluorine Binding Sites List in 6u5m
Fluorine binding site 5 out
of 10 in the Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction
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 5 of Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction within 5.0Å range:
|
Fluorine binding site 6 out of 10 in 6u5m
Go back to
Fluorine Binding Sites List in 6u5m
Fluorine binding site 6 out
of 10 in the Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction
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 6 of Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction within 5.0Å range:
|
Fluorine binding site 7 out of 10 in 6u5m
Go back to
Fluorine Binding Sites List in 6u5m
Fluorine binding site 7 out
of 10 in the Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction
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 7 of Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction within 5.0Å range:
|
Fluorine binding site 8 out of 10 in 6u5m
Go back to
Fluorine Binding Sites List in 6u5m
Fluorine binding site 8 out
of 10 in the Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction
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 8 of Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction within 5.0Å range:
|
Fluorine binding site 9 out of 10 in 6u5m
Go back to
Fluorine Binding Sites List in 6u5m
Fluorine binding site 9 out
of 10 in the Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction
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 9 of Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction within 5.0Å range:
|
Fluorine binding site 10 out of 10 in 6u5m
Go back to
Fluorine Binding Sites List in 6u5m
Fluorine binding site 10 out
of 10 in the Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction
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 10 of Discovery and Optimization of Salicyclic Acid-Derived Sulfonamide Inhibitors of the WDR5:Myc Protein-Protein Interaction within 5.0Å range:
|
Reference:
J.D.Macdonald,
S.Chacon Simon,
C.Han,
F.Wang,
J.G.Shaw,
J.E.Howes,
J.Sai,
J.Yuh,
D.V.Camper,
B.M.Alicie,
J.Alvarado,
S.Nikhar,
W.G.Payne,
E.R.Aho,
J.Bauer,
B.Zhao,
J.Phan,
L.R.Thomas,
O.W.Rossanese,
W.P.Tansey,
A.G.Waterson,
S.R.Stauffer,
S.W.Fesik.
Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the Wd Repeat-Containing Protein 5 (WDR5)-Myc Protein-Protein Interaction. J.Med.Chem. 2019.
ISSN: ISSN 0022-2623
PubMed: 31724864
DOI: 10.1021/ACS.JMEDCHEM.9B01411
Page generated: Fri Aug 2 02:18:25 2024
ISSN: ISSN 0022-2623
PubMed: 31724864
DOI: 10.1021/ACS.JMEDCHEM.9B01411
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