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Fluorine in PDB 4gsy: Crystal Structure of Thymidylate Kinase From Staphylococcus Aureus Bound to Inhibitor.
Enzymatic activity of Crystal Structure of Thymidylate Kinase From Staphylococcus Aureus Bound to Inhibitor.
All present enzymatic activity of Crystal Structure of Thymidylate Kinase From Staphylococcus Aureus Bound to Inhibitor.:
2.7.4.9;
2.7.4.9;
Protein crystallography data
The structure of Crystal Structure of Thymidylate Kinase From Staphylococcus Aureus Bound to Inhibitor., PDB code: 4gsy
was solved by
N.A.Larsen,
N.B.Olivier,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 36.89 / 1.71 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 45.984, 90.635, 48.409, 90.00, 102.99, 90.00 |
| R / Rfree (%) | 18.9 / 20.5 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Thymidylate Kinase From Staphylococcus Aureus Bound to Inhibitor.
(pdb code 4gsy). 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 Thymidylate Kinase From Staphylococcus Aureus Bound to Inhibitor., PDB code: 4gsy:
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 Thymidylate Kinase From Staphylococcus Aureus Bound to Inhibitor., PDB code: 4gsy:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
Fluorine binding site 1 out of 6 in 4gsy
Go back to
Fluorine Binding Sites List in 4gsy
Fluorine binding site 1 out
of 6 in the Crystal Structure of Thymidylate Kinase From Staphylococcus Aureus Bound to Inhibitor.
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 Thymidylate Kinase From Staphylococcus Aureus Bound to Inhibitor. within 5.0Å range:
|
Fluorine binding site 2 out of 6 in 4gsy
Go back to
Fluorine Binding Sites List in 4gsy
Fluorine binding site 2 out
of 6 in the Crystal Structure of Thymidylate Kinase From Staphylococcus Aureus Bound to Inhibitor.
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 Thymidylate Kinase From Staphylococcus Aureus Bound to Inhibitor. within 5.0Å range:
|
Fluorine binding site 3 out of 6 in 4gsy
Go back to
Fluorine Binding Sites List in 4gsy
Fluorine binding site 3 out
of 6 in the Crystal Structure of Thymidylate Kinase From Staphylococcus Aureus Bound to Inhibitor.
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 Thymidylate Kinase From Staphylococcus Aureus Bound to Inhibitor. within 5.0Å range:
|
Fluorine binding site 4 out of 6 in 4gsy
Go back to
Fluorine Binding Sites List in 4gsy
Fluorine binding site 4 out
of 6 in the Crystal Structure of Thymidylate Kinase From Staphylococcus Aureus Bound to Inhibitor.
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 Thymidylate Kinase From Staphylococcus Aureus Bound to Inhibitor. within 5.0Å range:
|
Fluorine binding site 5 out of 6 in 4gsy
Go back to
Fluorine Binding Sites List in 4gsy
Fluorine binding site 5 out
of 6 in the Crystal Structure of Thymidylate Kinase From Staphylococcus Aureus Bound to Inhibitor.
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 Thymidylate Kinase From Staphylococcus Aureus Bound to Inhibitor. within 5.0Å range:
|
Fluorine binding site 6 out of 6 in 4gsy
Go back to
Fluorine Binding Sites List in 4gsy
Fluorine binding site 6 out
of 6 in the Crystal Structure of Thymidylate Kinase From Staphylococcus Aureus Bound to Inhibitor.
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 Thymidylate Kinase From Staphylococcus Aureus Bound to Inhibitor. within 5.0Å range:
|
Reference:
G.Martinez-Botella,
J.N.Breen,
J.E.Duffy,
J.Dumas,
B.Geng,
I.K.Gowers,
O.M.Green,
S.Guler,
M.F.Hentemann,
F.A.Hernandez-Juan,
D.Joseph-Mccarthy,
S.Kawatkar,
N.A.Larsen,
O.Lazari,
J.T.Loch,
J.A.Macritchie,
A.R.Mckenzie,
J.V.Newman,
N.B.Olivier,
L.G.Otterson,
A.P.Owens,
J.Read,
D.W.Sheppard,
T.A.Keating.
Discovery of Selective and Potent Inhibitors of Gram-Positive Bacterial Thymidylate Kinase (Tmk). J.Med.Chem. V. 55 10010 2012.
ISSN: ISSN 0022-2623
PubMed: 23043329
DOI: 10.1021/JM3011806
Page generated: Sun Dec 13 12:03:35 2020
ISSN: ISSN 0022-2623
PubMed: 23043329
DOI: 10.1021/JM3011806
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