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Fluorine in PDB 5uy8: Crystal Structure of Aicarft Bound to An Antifolate
Enzymatic activity of Crystal Structure of Aicarft Bound to An Antifolate
All present enzymatic activity of Crystal Structure of Aicarft Bound to An Antifolate:
2.1.2.3; 3.5.4.10;
2.1.2.3; 3.5.4.10;
Protein crystallography data
The structure of Crystal Structure of Aicarft Bound to An Antifolate, PDB code: 5uy8
was solved by
J.Wang,
Y.Wang,
K.R.Fales,
S.Atwell,
D.Clawson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 19.98 / 2.39 |
| Space group | P 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 61.575, 104.226, 105.473, 113.16, 99.39, 95.50 |
| R / Rfree (%) | 20.5 / 24.5 |
Other elements in 5uy8:
The structure of Crystal Structure of Aicarft Bound to An Antifolate also contains other interesting chemical elements:
| Magnesium | (Mg) | 4 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Aicarft Bound to An Antifolate
(pdb code 5uy8). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Aicarft Bound to An Antifolate, PDB code: 5uy8:
Jump to Fluorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Aicarft Bound to An Antifolate, PDB code: 5uy8:
Jump to Fluorine binding site number: 1; 2; 3; 4;
Fluorine binding site 1 out of 4 in 5uy8
Go back to
Fluorine Binding Sites List in 5uy8
Fluorine binding site 1 out
of 4 in the Crystal Structure of Aicarft Bound to An Antifolate
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 Aicarft Bound to An Antifolate within 5.0Å range:
|
Fluorine binding site 2 out of 4 in 5uy8
Go back to
Fluorine Binding Sites List in 5uy8
Fluorine binding site 2 out
of 4 in the Crystal Structure of Aicarft Bound to An Antifolate
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 Aicarft Bound to An Antifolate within 5.0Å range:
|
Fluorine binding site 3 out of 4 in 5uy8
Go back to
Fluorine Binding Sites List in 5uy8
Fluorine binding site 3 out
of 4 in the Crystal Structure of Aicarft Bound to An Antifolate
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 Aicarft Bound to An Antifolate within 5.0Å range:
|
Fluorine binding site 4 out of 4 in 5uy8
Go back to
Fluorine Binding Sites List in 5uy8
Fluorine binding site 4 out
of 4 in the Crystal Structure of Aicarft Bound to An Antifolate
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 Aicarft Bound to An Antifolate within 5.0Å range:
|
Reference:
K.R.Fales,
F.G.Njoroge,
H.B.Brooks,
S.Thibodeaux,
A.Torrado,
C.Si,
J.L.Toth,
J.R.Mc Cowan,
K.D.Roth,
K.J.Thrasher,
K.Frimpong,
M.R.Lee,
R.D.Dally,
T.A.Shepherd,
T.B.Durham,
B.J.Margolis,
Z.Wu,
Y.Wang,
S.Atwell,
J.Wang,
Y.H.Hui,
T.I.Meier,
S.A.Konicek,
S.Geeganage.
Discovery of N-(6-Fluoro-1-Oxo-1,2-Dihydroisoquinolin-7-Yl)-5-[(3R) -3-Hydroxypyrrolidin-1-Yl]Thiophene-2-Sulfonamide (Lsn 3213128), A Potent and Selective Nonclassical Antifolate Aminoimidazole-4-Carboxamide Ribonucleotide Formyltransferase (Aicarft) Inhibitor Effective at Tumor Suppression in A Cancer Xenograft Model. J. Med. Chem. V. 60 9599 2017.
ISSN: ISSN 1520-4804
PubMed: 29072452
DOI: 10.1021/ACS.JMEDCHEM.7B01046
Page generated: Thu Aug 1 15:52:17 2024
ISSN: ISSN 1520-4804
PubMed: 29072452
DOI: 10.1021/ACS.JMEDCHEM.7B01046
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