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Fluorine in PDB 4ark: Crystal Structure of the Catalytic Domain of Human Map Kinase Kinase 1 (MEK1) in Complex with A Small Molecule Inhibitor and Adp
Enzymatic activity of Crystal Structure of the Catalytic Domain of Human Map Kinase Kinase 1 (MEK1) in Complex with A Small Molecule Inhibitor and Adp
All present enzymatic activity of Crystal Structure of the Catalytic Domain of Human Map Kinase Kinase 1 (MEK1) in Complex with A Small Molecule Inhibitor and Adp:
2.7.12.2;
2.7.12.2;
Protein crystallography data
The structure of Crystal Structure of the Catalytic Domain of Human Map Kinase Kinase 1 (MEK1) in Complex with A Small Molecule Inhibitor and Adp, PDB code: 4ark
was solved by
I.V.Hartung,
M.Hitchcock,
F.Puehler,
R.Neuhaus,
A.Scholz,
S.Hammer,
K.Petersen,
G.Siemeister,
D.Brittain,
R.C.Hillig,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 19.80 / 2.60 |
| Space group | P 62 |
| Cell size a, b, c (Å), α, β, γ (°) | 82.411, 82.411, 130.238, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 17.205 / 21.135 |
Other elements in 4ark:
The structure of Crystal Structure of the Catalytic Domain of Human Map Kinase Kinase 1 (MEK1) in Complex with A Small Molecule Inhibitor and Adp 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 Catalytic Domain of Human Map Kinase Kinase 1 (MEK1) in Complex with A Small Molecule Inhibitor and Adp
(pdb code 4ark). 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 Catalytic Domain of Human Map Kinase Kinase 1 (MEK1) in Complex with A Small Molecule Inhibitor and Adp, PDB code: 4ark:
Jump to Fluorine binding site number: 1; 2;
In total 2 binding sites of Fluorine where determined in the Crystal Structure of the Catalytic Domain of Human Map Kinase Kinase 1 (MEK1) in Complex with A Small Molecule Inhibitor and Adp, PDB code: 4ark:
Jump to Fluorine binding site number: 1; 2;
Fluorine binding site 1 out of 2 in 4ark
Go back to
Fluorine Binding Sites List in 4ark
Fluorine binding site 1 out
of 2 in the Crystal Structure of the Catalytic Domain of Human Map Kinase Kinase 1 (MEK1) in Complex with A Small Molecule Inhibitor and Adp
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 Catalytic Domain of Human Map Kinase Kinase 1 (MEK1) in Complex with A Small Molecule Inhibitor and Adp within 5.0Å range:
|
Fluorine binding site 2 out of 2 in 4ark
Go back to
Fluorine Binding Sites List in 4ark
Fluorine binding site 2 out
of 2 in the Crystal Structure of the Catalytic Domain of Human Map Kinase Kinase 1 (MEK1) in Complex with A Small Molecule Inhibitor and Adp
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 Catalytic Domain of Human Map Kinase Kinase 1 (MEK1) in Complex with A Small Molecule Inhibitor and Adp within 5.0Å range:
|
Reference:
I.V.Hartung,
M.Hitchcock,
F.Puehler,
R.Neuhaus,
A.Scholz,
S.Hammer,
K.Petersen,
G.Siemeister,
D.Brittain,
R.C.Hillig.
Optimization of Allosteric Mek Inhibitors - Part 1: Venturing Into Unexplored Sar Territories Bioorg.Med.Chem.Lett. V. 23 2384 2013.
ISSN: ISSN 0960-894X
PubMed: 23474388
DOI: 10.1016/J.BMCL.2013.02.028
Page generated: Sun Dec 13 11:58:54 2020
ISSN: ISSN 0960-894X
PubMed: 23474388
DOI: 10.1016/J.BMCL.2013.02.028
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