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PDB 6cua-6d31 »
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Chlorine in PDB 6d20: Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One and 5-{[2,4- Dichloro-5-(Pyridin-2-Yl)Benzene-1-Carbonyl]Amino}-N-(2-Hydroxy-2- Methylpropyl)-1-Phenyl-1H-Pyrazole-3-Carboxamide Inhibitors
Enzymatic activity of Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One and 5-{[2,4- Dichloro-5-(Pyridin-2-Yl)Benzene-1-Carbonyl]Amino}-N-(2-Hydroxy-2- Methylpropyl)-1-Phenyl-1H-Pyrazole-3-Carboxamide Inhibitors
All present enzymatic activity of Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One and 5-{[2,4- Dichloro-5-(Pyridin-2-Yl)Benzene-1-Carbonyl]Amino}-N-(2-Hydroxy-2- Methylpropyl)-1-Phenyl-1H-Pyrazole-3-Carboxamide Inhibitors:
2.7.10.1;
2.7.10.1;
Protein crystallography data
The structure of Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One and 5-{[2,4- Dichloro-5-(Pyridin-2-Yl)Benzene-1-Carbonyl]Amino}-N-(2-Hydroxy-2- Methylpropyl)-1-Phenyl-1H-Pyrazole-3-Carboxamide Inhibitors, PDB code: 6d20
was solved by
S.E.Greasley,
E.Johnson,
M.L.Kraus,
C.N.Cronin,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 45.47 / 1.94 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 113.940, 45.810, 79.490, 90.00, 127.04, 90.00 |
| R / Rfree (%) | 17 / 20.7 |
Other elements in 6d20:
The structure of Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One and 5-{[2,4- Dichloro-5-(Pyridin-2-Yl)Benzene-1-Carbonyl]Amino}-N-(2-Hydroxy-2- Methylpropyl)-1-Phenyl-1H-Pyrazole-3-Carboxamide Inhibitors also contains other interesting chemical elements:
| Fluorine | (F) | 1 atom |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One and 5-{[2,4- Dichloro-5-(Pyridin-2-Yl)Benzene-1-Carbonyl]Amino}-N-(2-Hydroxy-2- Methylpropyl)-1-Phenyl-1H-Pyrazole-3-Carboxamide Inhibitors
(pdb code 6d20). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One and 5-{[2,4- Dichloro-5-(Pyridin-2-Yl)Benzene-1-Carbonyl]Amino}-N-(2-Hydroxy-2- Methylpropyl)-1-Phenyl-1H-Pyrazole-3-Carboxamide Inhibitors, PDB code: 6d20:
Jump to Chlorine binding site number: 1; 2;
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One and 5-{[2,4- Dichloro-5-(Pyridin-2-Yl)Benzene-1-Carbonyl]Amino}-N-(2-Hydroxy-2- Methylpropyl)-1-Phenyl-1H-Pyrazole-3-Carboxamide Inhibitors, PDB code: 6d20:
Jump to Chlorine binding site number: 1; 2;
Chlorine binding site 1 out of 2 in 6d20
Go back to
Chlorine Binding Sites List in 6d20
Chlorine binding site 1 out
of 2 in the Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One and 5-{[2,4- Dichloro-5-(Pyridin-2-Yl)Benzene-1-Carbonyl]Amino}-N-(2-Hydroxy-2- Methylpropyl)-1-Phenyl-1H-Pyrazole-3-Carboxamide Inhibitors
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 Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One and 5-{[2,4- Dichloro-5-(Pyridin-2-Yl)Benzene-1-Carbonyl]Amino}-N-(2-Hydroxy-2- Methylpropyl)-1-Phenyl-1H-Pyrazole-3-Carboxamide Inhibitors within 5.0Å range:
|
Chlorine binding site 2 out of 2 in 6d20
Go back to
Chlorine Binding Sites List in 6d20
Chlorine binding site 2 out
of 2 in the Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One and 5-{[2,4- Dichloro-5-(Pyridin-2-Yl)Benzene-1-Carbonyl]Amino}-N-(2-Hydroxy-2- Methylpropyl)-1-Phenyl-1H-Pyrazole-3-Carboxamide Inhibitors
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 Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One and 5-{[2,4- Dichloro-5-(Pyridin-2-Yl)Benzene-1-Carbonyl]Amino}-N-(2-Hydroxy-2- Methylpropyl)-1-Phenyl-1H-Pyrazole-3-Carboxamide Inhibitors within 5.0Å range:
|
Reference:
S.K.Bagal,
K.Omoto,
D.C.Blakemore,
P.J.Bungay,
J.G.Bilsland,
P.J.Clarke,
M.S.Corbett,
C.N.Cronin,
J.J.Cui,
R.Dias,
N.J.Flanagan,
S.E.Greasley,
R.Grimley,
E.Johnson,
D.Fengas,
L.Kitching,
M.L.Kraus,
I.Mcalpine,
A.Nagata,
G.J.Waldron,
J.S.Warmus.
Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted Trka Kinase Inhibitors. J. Med. Chem. V. 62 247 2019.
ISSN: ISSN 1520-4804
PubMed: 29672039
DOI: 10.1021/ACS.JMEDCHEM.8B00280
Page generated: Sat Jul 27 21:16:30 2024
ISSN: ISSN 1520-4804
PubMed: 29672039
DOI: 10.1021/ACS.JMEDCHEM.8B00280
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