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Fluorine in PDB 3kxo: An Orally Active Inhibitor Bound at the Active Site of Hpgds
Enzymatic activity of An Orally Active Inhibitor Bound at the Active Site of Hpgds
All present enzymatic activity of An Orally Active Inhibitor Bound at the Active Site of Hpgds:
5.3.99.2;
5.3.99.2;
Protein crystallography data
The structure of An Orally Active Inhibitor Bound at the Active Site of Hpgds, PDB code: 3kxo
was solved by
J.R.Kiefer,
J.E.Day,
A.Thorarensen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 19.72 / 2.10 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 48.799, 78.364, 52.455, 90.00, 91.61, 90.00 |
| R / Rfree (%) | 16.4 / 22.2 |
Other elements in 3kxo:
The structure of An Orally Active Inhibitor Bound at the Active Site of Hpgds also contains other interesting chemical elements:
| Magnesium | (Mg) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the An Orally Active Inhibitor Bound at the Active Site of Hpgds
(pdb code 3kxo). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the An Orally Active Inhibitor Bound at the Active Site of Hpgds, PDB code: 3kxo:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;
In total 8 binding sites of Fluorine where determined in the An Orally Active Inhibitor Bound at the Active Site of Hpgds, PDB code: 3kxo:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;
Fluorine binding site 1 out of 8 in 3kxo
Go back to
Fluorine Binding Sites List in 3kxo
Fluorine binding site 1 out
of 8 in the An Orally Active Inhibitor Bound at the Active Site of Hpgds
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 An Orally Active Inhibitor Bound at the Active Site of Hpgds within 5.0Å range:
|
Fluorine binding site 2 out of 8 in 3kxo
Go back to
Fluorine Binding Sites List in 3kxo
Fluorine binding site 2 out
of 8 in the An Orally Active Inhibitor Bound at the Active Site of Hpgds
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 An Orally Active Inhibitor Bound at the Active Site of Hpgds within 5.0Å range:
|
Fluorine binding site 3 out of 8 in 3kxo
Go back to
Fluorine Binding Sites List in 3kxo
Fluorine binding site 3 out
of 8 in the An Orally Active Inhibitor Bound at the Active Site of Hpgds
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 An Orally Active Inhibitor Bound at the Active Site of Hpgds within 5.0Å range:
|
Fluorine binding site 4 out of 8 in 3kxo
Go back to
Fluorine Binding Sites List in 3kxo
Fluorine binding site 4 out
of 8 in the An Orally Active Inhibitor Bound at the Active Site of Hpgds
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 An Orally Active Inhibitor Bound at the Active Site of Hpgds within 5.0Å range:
|
Fluorine binding site 5 out of 8 in 3kxo
Go back to
Fluorine Binding Sites List in 3kxo
Fluorine binding site 5 out
of 8 in the An Orally Active Inhibitor Bound at the Active Site of Hpgds
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 An Orally Active Inhibitor Bound at the Active Site of Hpgds within 5.0Å range:
|
Fluorine binding site 6 out of 8 in 3kxo
Go back to
Fluorine Binding Sites List in 3kxo
Fluorine binding site 6 out
of 8 in the An Orally Active Inhibitor Bound at the Active Site of Hpgds
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 An Orally Active Inhibitor Bound at the Active Site of Hpgds within 5.0Å range:
|
Fluorine binding site 7 out of 8 in 3kxo
Go back to
Fluorine Binding Sites List in 3kxo
Fluorine binding site 7 out
of 8 in the An Orally Active Inhibitor Bound at the Active Site of Hpgds
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 An Orally Active Inhibitor Bound at the Active Site of Hpgds within 5.0Å range:
|
Fluorine binding site 8 out of 8 in 3kxo
Go back to
Fluorine Binding Sites List in 3kxo
Fluorine binding site 8 out
of 8 in the An Orally Active Inhibitor Bound at the Active Site of Hpgds
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 An Orally Active Inhibitor Bound at the Active Site of Hpgds within 5.0Å range:
|
Reference:
C.P.Carron,
J.I.Trujillo,
K.L.Olson,
W.Huang,
B.C.Hamper,
T.Dice,
B.E.Neal,
M.J.Pelc,
J.Day,
D.C.Rohrer,
J.R.Kiefer,
J.B.Moon,
B.A.Schweitzer,
T.D.Blake,
S.R.Turner,
R.Woerndle,
B.L.Case,
C.P.Bono,
V.M.Dilworth,
C.L.Funckes-Shippy,
B.L.Hood,
G.M.Jerome,
C.M.Kornmeier,
M.R.Radabaugh,
M.L.Williams,
M.S.Davies,
C.D.Wegner,
D.J.Welsch,
W.M.Abraham,
C.J.Warren,
M.E.Dowty,
F.Hua,
A.Zutshi,
J.Z.Yang,
A.Thorarensen.
Discovery of An Oral Potent Selective Inhibitor of Hematopoietic Prostaglandin D Synthase To Be Published.
Page generated: Wed Jul 31 20:19:43 2024
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