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Fluorine in PDB 4e4x: Crystal Structure of B-Raf Kinase Domain in Complex with A Dihydropyrido[2,3-D]Pyrimidinone-Based Inhibitor
Enzymatic activity of Crystal Structure of B-Raf Kinase Domain in Complex with A Dihydropyrido[2,3-D]Pyrimidinone-Based Inhibitor
All present enzymatic activity of Crystal Structure of B-Raf Kinase Domain in Complex with A Dihydropyrido[2,3-D]Pyrimidinone-Based Inhibitor:
2.7.11.1;
2.7.11.1;
Protein crystallography data
The structure of Crystal Structure of B-Raf Kinase Domain in Complex with A Dihydropyrido[2,3-D]Pyrimidinone-Based Inhibitor, PDB code: 4e4x
was solved by
W.C.Voegtli,
H.L.Sturgis,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 29.86 / 3.60 |
| Space group | P 41 21 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 109.000, 109.000, 155.210, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 29.9 / 33.8 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of B-Raf Kinase Domain in Complex with A Dihydropyrido[2,3-D]Pyrimidinone-Based Inhibitor
(pdb code 4e4x). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of B-Raf Kinase Domain in Complex with A Dihydropyrido[2,3-D]Pyrimidinone-Based Inhibitor, PDB code: 4e4x:
Jump to Fluorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Fluorine where determined in the Crystal Structure of B-Raf Kinase Domain in Complex with A Dihydropyrido[2,3-D]Pyrimidinone-Based Inhibitor, PDB code: 4e4x:
Jump to Fluorine binding site number: 1; 2; 3; 4;
Fluorine binding site 1 out of 4 in 4e4x
Go back to
Fluorine Binding Sites List in 4e4x
Fluorine binding site 1 out
of 4 in the Crystal Structure of B-Raf Kinase Domain in Complex with A Dihydropyrido[2,3-D]Pyrimidinone-Based 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 B-Raf Kinase Domain in Complex with A Dihydropyrido[2,3-D]Pyrimidinone-Based Inhibitor within 5.0Å range:
|
Fluorine binding site 2 out of 4 in 4e4x
Go back to
Fluorine Binding Sites List in 4e4x
Fluorine binding site 2 out
of 4 in the Crystal Structure of B-Raf Kinase Domain in Complex with A Dihydropyrido[2,3-D]Pyrimidinone-Based 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 B-Raf Kinase Domain in Complex with A Dihydropyrido[2,3-D]Pyrimidinone-Based Inhibitor within 5.0Å range:
|
Fluorine binding site 3 out of 4 in 4e4x
Go back to
Fluorine Binding Sites List in 4e4x
Fluorine binding site 3 out
of 4 in the Crystal Structure of B-Raf Kinase Domain in Complex with A Dihydropyrido[2,3-D]Pyrimidinone-Based 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 B-Raf Kinase Domain in Complex with A Dihydropyrido[2,3-D]Pyrimidinone-Based Inhibitor within 5.0Å range:
|
Fluorine binding site 4 out of 4 in 4e4x
Go back to
Fluorine Binding Sites List in 4e4x
Fluorine binding site 4 out
of 4 in the Crystal Structure of B-Raf Kinase Domain in Complex with A Dihydropyrido[2,3-D]Pyrimidinone-Based 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 B-Raf Kinase Domain in Complex with A Dihydropyrido[2,3-D]Pyrimidinone-Based Inhibitor within 5.0Å range:
|
Reference:
L.Ren,
K.A.Ahrendt,
J.Grina,
E.R.Laird,
A.J.Buckmelter,
J.D.Hansen,
B.Newhouse,
D.Moreno,
S.Wenglowsky,
V.Dinkel,
S.L.Gloor,
G.Hastings,
S.Rana,
K.Rasor,
T.Risom,
H.L.Sturgis,
W.C.Voegtli,
S.Mathieu.
The Discovery of Potent and Selective Pyridopyrimidin-7-One Based Inhibitors of B-Raf(V600E) Kinase. Bioorg.Med.Chem.Lett. V. 22 3387 2012.
ISSN: ISSN 0960-894X
PubMed: 22534450
DOI: 10.1016/J.BMCL.2012.04.015
Page generated: Sun Dec 13 12:01:52 2020
ISSN: ISSN 0960-894X
PubMed: 22534450
DOI: 10.1016/J.BMCL.2012.04.015
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