Fluorine in PDB 6q2w: Crystal Structure of Human Ror Gamma Lbd in Complex with A Quinoline Sulfonamide Inverse Agonist
Protein crystallography data
The structure of Crystal Structure of Human Ror Gamma Lbd in Complex with A Quinoline Sulfonamide Inverse Agonist, PDB code: 6q2w
was solved by
F.Ciesielski,
J.Amaudrut,
M.A.Argiriadi,
M.Barth,
E.C.Breinlinger,
D.J.Calderwood,
K.P.Cusack,
M.E.Kort,
C.Montalbetti,
D.Potin,
O.Poupardin,
L.Spitzer,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 46.20 / 1.99 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 127.120, 56.200, 81.400, 90.00, 125.06, 90.00 |
| R / Rfree (%) | 18.7 / 23.2 |
Other elements in 6q2w:
The structure of Crystal Structure of Human Ror Gamma Lbd in Complex with A Quinoline Sulfonamide Inverse Agonist also contains other interesting chemical elements:
| Chlorine | (Cl) | 4 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Human Ror Gamma Lbd in Complex with A Quinoline Sulfonamide Inverse Agonist
(pdb code 6q2w). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Human Ror Gamma Lbd in Complex with A Quinoline Sulfonamide Inverse Agonist, PDB code: 6q2w:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Human Ror Gamma Lbd in Complex with A Quinoline Sulfonamide Inverse Agonist, PDB code: 6q2w:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
Fluorine binding site 1 out of 6 in 6q2w
Go back to
Fluorine Binding Sites List in 6q2w
Fluorine binding site 1 out
of 6 in the Crystal Structure of Human Ror Gamma Lbd in Complex with A Quinoline Sulfonamide Inverse Agonist
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 Ror Gamma Lbd in Complex with A Quinoline Sulfonamide Inverse Agonist within 5.0Å range:
|
Fluorine binding site 2 out of 6 in 6q2w
Go back to
Fluorine Binding Sites List in 6q2w
Fluorine binding site 2 out
of 6 in the Crystal Structure of Human Ror Gamma Lbd in Complex with A Quinoline Sulfonamide Inverse Agonist
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 Crystal Structure of Human Ror Gamma Lbd in Complex with A Quinoline Sulfonamide Inverse Agonist within 5.0Å range:
|
Fluorine binding site 3 out of 6 in 6q2w
Go back to
Fluorine Binding Sites List in 6q2w
Fluorine binding site 3 out
of 6 in the Crystal Structure of Human Ror Gamma Lbd in Complex with A Quinoline Sulfonamide Inverse Agonist
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 Crystal Structure of Human Ror Gamma Lbd in Complex with A Quinoline Sulfonamide Inverse Agonist within 5.0Å range:
|
Fluorine binding site 4 out of 6 in 6q2w
Go back to
Fluorine Binding Sites List in 6q2w
Fluorine binding site 4 out
of 6 in the Crystal Structure of Human Ror Gamma Lbd in Complex with A Quinoline Sulfonamide Inverse Agonist
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 Crystal Structure of Human Ror Gamma Lbd in Complex with A Quinoline Sulfonamide Inverse Agonist within 5.0Å range:
|
Fluorine binding site 5 out of 6 in 6q2w
Go back to
Fluorine Binding Sites List in 6q2w
Fluorine binding site 5 out
of 6 in the Crystal Structure of Human Ror Gamma Lbd in Complex with A Quinoline Sulfonamide Inverse Agonist
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 Crystal Structure of Human Ror Gamma Lbd in Complex with A Quinoline Sulfonamide Inverse Agonist within 5.0Å range:
|
Fluorine binding site 6 out of 6 in 6q2w
Go back to
Fluorine Binding Sites List in 6q2w
Fluorine binding site 6 out
of 6 in the Crystal Structure of Human Ror Gamma Lbd in Complex with A Quinoline Sulfonamide Inverse Agonist
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 Crystal Structure of Human Ror Gamma Lbd in Complex with A Quinoline Sulfonamide Inverse Agonist within 5.0Å range:
|
Reference:
J.Amaudrut,
M.A.Argiriadi,
M.Barth,
E.C.Breinlinger,
D.Bressac,
P.Broqua,
D.J.Calderwood,
M.Chatar,
K.P.Cusack,
S.B.Gauld,
S.Jacquet,
R.V.Kamath,
M.E.Kort,
V.Lepais,
J.M.Luccarini,
P.Masson,
C.Montalbetti,
L.Mounier,
D.Potin,
O.Poupardin,
S.Rouaud,
L.Spitzer,
C.D.Wallace.
Discovery of Novel Quinoline Sulphonamide Derivatives As Potent, Selective and Orally Active Ror Gamma Inverse Agonists. Bioorg.Med.Chem.Lett. V. 29 1799 2019.
ISSN: ESSN 1464-3405
PubMed: 31101472
DOI: 10.1016/J.BMCL.2019.05.015
Page generated: Sun Dec 13 13:07:37 2020
ISSN: ESSN 1464-3405
PubMed: 31101472
DOI: 10.1016/J.BMCL.2019.05.015
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