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Chlorine in PDB 3fsf: P38 Kinase Crystal Structure in Complex with 3-(2,6- Dichloro-Phenyl)-7-[4-(2-Diethylamino-Ethoxy)-Phenylamino]- 1-Methyl-3,4-Dihydro-1H-Pyrimido[4,5-D]Pyrimidin-2-One
Enzymatic activity of P38 Kinase Crystal Structure in Complex with 3-(2,6- Dichloro-Phenyl)-7-[4-(2-Diethylamino-Ethoxy)-Phenylamino]- 1-Methyl-3,4-Dihydro-1H-Pyrimido[4,5-D]Pyrimidin-2-One
All present enzymatic activity of P38 Kinase Crystal Structure in Complex with 3-(2,6- Dichloro-Phenyl)-7-[4-(2-Diethylamino-Ethoxy)-Phenylamino]- 1-Methyl-3,4-Dihydro-1H-Pyrimido[4,5-D]Pyrimidin-2-One:
2.7.11.24;
2.7.11.24;
Protein crystallography data
The structure of P38 Kinase Crystal Structure in Complex with 3-(2,6- Dichloro-Phenyl)-7-[4-(2-Diethylamino-Ethoxy)-Phenylamino]- 1-Methyl-3,4-Dihydro-1H-Pyrimido[4,5-D]Pyrimidin-2-One, PDB code: 3fsf
was solved by
A.Kuglstatter,
J.Bertrand,
B.Lovejoy,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 9.96 / 2.10 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 45.202, 86.402, 124.158, 90.00, 90.00, 90.00 |
| R / Rfree (%) | n/a / n/a |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the P38 Kinase Crystal Structure in Complex with 3-(2,6- Dichloro-Phenyl)-7-[4-(2-Diethylamino-Ethoxy)-Phenylamino]- 1-Methyl-3,4-Dihydro-1H-Pyrimido[4,5-D]Pyrimidin-2-One
(pdb code 3fsf). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the P38 Kinase Crystal Structure in Complex with 3-(2,6- Dichloro-Phenyl)-7-[4-(2-Diethylamino-Ethoxy)-Phenylamino]- 1-Methyl-3,4-Dihydro-1H-Pyrimido[4,5-D]Pyrimidin-2-One, PDB code: 3fsf:
Jump to Chlorine binding site number: 1; 2;
In total 2 binding sites of Chlorine where determined in the P38 Kinase Crystal Structure in Complex with 3-(2,6- Dichloro-Phenyl)-7-[4-(2-Diethylamino-Ethoxy)-Phenylamino]- 1-Methyl-3,4-Dihydro-1H-Pyrimido[4,5-D]Pyrimidin-2-One, PDB code: 3fsf:
Jump to Chlorine binding site number: 1; 2;
Chlorine binding site 1 out of 2 in 3fsf
Go back to
Chlorine Binding Sites List in 3fsf
Chlorine binding site 1 out
of 2 in the P38 Kinase Crystal Structure in Complex with 3-(2,6- Dichloro-Phenyl)-7-[4-(2-Diethylamino-Ethoxy)-Phenylamino]- 1-Methyl-3,4-Dihydro-1H-Pyrimido[4,5-D]Pyrimidin-2-One
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of P38 Kinase Crystal Structure in Complex with 3-(2,6- Dichloro-Phenyl)-7-[4-(2-Diethylamino-Ethoxy)-Phenylamino]- 1-Methyl-3,4-Dihydro-1H-Pyrimido[4,5-D]Pyrimidin-2-One within 5.0Å range:
|
Chlorine binding site 2 out of 2 in 3fsf
Go back to
Chlorine Binding Sites List in 3fsf
Chlorine binding site 2 out
of 2 in the P38 Kinase Crystal Structure in Complex with 3-(2,6- Dichloro-Phenyl)-7-[4-(2-Diethylamino-Ethoxy)-Phenylamino]- 1-Methyl-3,4-Dihydro-1H-Pyrimido[4,5-D]Pyrimidin-2-One
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of P38 Kinase Crystal Structure in Complex with 3-(2,6- Dichloro-Phenyl)-7-[4-(2-Diethylamino-Ethoxy)-Phenylamino]- 1-Methyl-3,4-Dihydro-1H-Pyrimido[4,5-D]Pyrimidin-2-One within 5.0Å range:
|
Reference:
M.Soth,
A.Kuglstatter,
D.Goldstein.
The Discovery of Pamapimod and R1487 As Orally Bioavailable and Highly Selective Inhibitors of P38 Map Kinase To Be Published.
Page generated: Sat Dec 12 09:42:25 2020
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