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Fluorine in PDB 3pp1: Crystal Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (Mek 1) in Complex with Ligand and Mgatp
Enzymatic activity of Crystal Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (Mek 1) in Complex with Ligand and Mgatp
All present enzymatic activity of Crystal Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (Mek 1) in Complex with Ligand and Mgatp:
2.7.12.2;
2.7.12.2;
Protein crystallography data
The structure of Crystal Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (Mek 1) in Complex with Ligand and Mgatp, PDB code: 3pp1
was solved by
D.R.Dougan,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 30.00 / 2.70 |
| Space group | P 62 |
| Cell size a, b, c (Å), α, β, γ (°) | 82.086, 82.086, 129.254, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 18.2 / 21.9 |
Other elements in 3pp1:
The structure of Crystal Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (Mek 1) in Complex with Ligand and Mgatp 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 Crystal Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (Mek 1) in Complex with Ligand and Mgatp
(pdb code 3pp1). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (Mek 1) in Complex with Ligand and Mgatp, PDB code: 3pp1:
Jump to Fluorine binding site number: 1; 2;
In total 2 binding sites of Fluorine where determined in the Crystal Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (Mek 1) in Complex with Ligand and Mgatp, PDB code: 3pp1:
Jump to Fluorine binding site number: 1; 2;
Fluorine binding site 1 out of 2 in 3pp1
Go back to
Fluorine Binding Sites List in 3pp1
Fluorine binding site 1 out
of 2 in the Crystal Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (Mek 1) in Complex with Ligand and Mgatp
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 the Human Mitogen-Activated Protein Kinase Kinase 1 (Mek 1) in Complex with Ligand and Mgatp within 5.0Å range:
|
Fluorine binding site 2 out of 2 in 3pp1
Go back to
Fluorine Binding Sites List in 3pp1
Fluorine binding site 2 out
of 2 in the Crystal Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (Mek 1) in Complex with Ligand and Mgatp
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 the Human Mitogen-Activated Protein Kinase Kinase 1 (Mek 1) in Complex with Ligand and Mgatp within 5.0Å range:
|
Reference:
Q.Dong,
D.R.Dougan,
X.Gong,
P.Halkowycz,
B.Jin,
T.Kanouni,
S.M.O'connell,
N.Scorah,
L.Shi,
M.B.Wallace,
F.Zhou.
Discovery of Tak-733, A Potent and Selective Mek Allosteric Site Inhibitor For the Treatment of Cancer. Bioorg.Med.Chem.Lett. V. 21 1315 2011.
ISSN: ISSN 0960-894X
PubMed: 21310613
DOI: 10.1016/J.BMCL.2011.01.071
Page generated: Sun Dec 13 11:53:20 2020
ISSN: ISSN 0960-894X
PubMed: 21310613
DOI: 10.1016/J.BMCL.2011.01.071
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