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Fluorine in PDB 3orn: Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in Complex with CH4987655 and Mgamp-Pnp
Enzymatic activity of Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in Complex with CH4987655 and Mgamp-Pnp
All present enzymatic activity of Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in Complex with CH4987655 and Mgamp-Pnp:
2.7.12.2;
2.7.12.2;
Protein crystallography data
The structure of Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in Complex with CH4987655 and Mgamp-Pnp, PDB code: 3orn
was solved by
C.M.Lukacs,
C.Janson,
V.Schuck,
C.Belunis,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 39.45 / 2.80 |
| Space group | P 31 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 136.670, 136.670, 60.906, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 29.3 / 32.8 |
Other elements in 3orn:
The structure of Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in Complex with CH4987655 and Mgamp-Pnp also contains other interesting chemical elements:
| Magnesium | (Mg) | 1 atom |
| Iodine | (I) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in Complex with CH4987655 and Mgamp-Pnp
(pdb code 3orn). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in Complex with CH4987655 and Mgamp-Pnp, PDB code: 3orn:
Jump to Fluorine binding site number: 1; 2; 3;
In total 3 binding sites of Fluorine where determined in the Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in Complex with CH4987655 and Mgamp-Pnp, PDB code: 3orn:
Jump to Fluorine binding site number: 1; 2; 3;
Fluorine binding site 1 out of 3 in 3orn
Go back to
Fluorine Binding Sites List in 3orn
Fluorine binding site 1 out
of 3 in the Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in Complex with CH4987655 and Mgamp-Pnp
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 Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in Complex with CH4987655 and Mgamp-Pnp within 5.0Å range:
|
Fluorine binding site 2 out of 3 in 3orn
Go back to
Fluorine Binding Sites List in 3orn
Fluorine binding site 2 out
of 3 in the Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in Complex with CH4987655 and Mgamp-Pnp
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 Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in Complex with CH4987655 and Mgamp-Pnp within 5.0Å range:
|
Fluorine binding site 3 out of 3 in 3orn
Go back to
Fluorine Binding Sites List in 3orn
Fluorine binding site 3 out
of 3 in the Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in Complex with CH4987655 and Mgamp-Pnp
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 Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in Complex with CH4987655 and Mgamp-Pnp within 5.0Å range:
|
Reference:
Y.Isshiki,
Y.Kohchi,
H.Iikura,
Y.Matsubara,
K.Asoh,
T.Murata,
M.Kohchi,
E.Mizuguchi,
S.Tsujii,
K.Hattori,
T.Miura,
Y.Yoshimura,
S.Aida,
M.Miwa,
R.Saitoh,
N.Murao,
H.Okabe,
C.Belunis,
C.Janson,
C.Lukacs,
V.Schuck,
N.Shimma.
Design and Synthesis of Novel Allosteric Mek Inhibitor CH4987655 As An Orally Available Anticancer Agent. Bioorg.Med.Chem.Lett. V. 21 1795 2011.
ISSN: ISSN 0960-894X
PubMed: 21316218
DOI: 10.1016/J.BMCL.2011.01.062
Page generated: Sun Dec 13 11:52:32 2020
ISSN: ISSN 0960-894X
PubMed: 21316218
DOI: 10.1016/J.BMCL.2011.01.062
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