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Fluorine in PDB 5ett: S. Aureus 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.55 Angstrom Resolution
Enzymatic activity of S. Aureus 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.55 Angstrom Resolution
All present enzymatic activity of S. Aureus 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.55 Angstrom Resolution:
2.7.6.3;
2.7.6.3;
Protein crystallography data
The structure of S. Aureus 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.55 Angstrom Resolution, PDB code: 5ett
was solved by
M.L.Dennis,
T.S.Peat,
J.D.Swarbrick,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 40.93 / 1.55 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 47.546, 68.404, 53.125, 90.00, 105.94, 90.00 |
| R / Rfree (%) | 15.8 / 19.2 |
Other elements in 5ett:
The structure of S. Aureus 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.55 Angstrom Resolution also contains other interesting chemical elements:
| Magnesium | (Mg) | 4 atoms |
| Sodium | (Na) | 3 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the S. Aureus 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.55 Angstrom Resolution
(pdb code 5ett). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the S. Aureus 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.55 Angstrom Resolution, PDB code: 5ett:
Jump to Fluorine binding site number: 1; 2;
In total 2 binding sites of Fluorine where determined in the S. Aureus 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.55 Angstrom Resolution, PDB code: 5ett:
Jump to Fluorine binding site number: 1; 2;
Fluorine binding site 1 out of 2 in 5ett
Go back to
Fluorine Binding Sites List in 5ett
Fluorine binding site 1 out
of 2 in the S. Aureus 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.55 Angstrom Resolution
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 S. Aureus 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.55 Angstrom Resolution within 5.0Å range:
|
Fluorine binding site 2 out of 2 in 5ett
Go back to
Fluorine Binding Sites List in 5ett
Fluorine binding site 2 out
of 2 in the S. Aureus 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.55 Angstrom Resolution
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 S. Aureus 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.55 Angstrom Resolution within 5.0Å range:
|
Reference:
M.L.Dennis,
N.P.Pitcher,
M.D.Lee,
A.J.Debono,
Z.C.Wang,
J.R.Harjani,
R.Rahmani,
B.Cleary,
T.S.Peat,
J.B.Baell,
J.D.Swarbrick.
Structural Basis For the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase From Staphylococcus Aureus and Escherichia Coli. J.Med.Chem. V. 59 5248 2016.
ISSN: ISSN 0022-2623
PubMed: 27094768
DOI: 10.1021/ACS.JMEDCHEM.6B00002
Page generated: Thu Aug 1 09:14:20 2024
ISSN: ISSN 0022-2623
PubMed: 27094768
DOI: 10.1021/ACS.JMEDCHEM.6B00002
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