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Chlorine in PDB 3f82: Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with N- (4-(2-Amino-3-Chloropyridin-4-Yloxy)-3-Fluorophenyl)-4- Ethoxy-1-(4-Fluorophenyl)-2-Oxo-1,2-Dihydropyridine-3- Carboxamide

Enzymatic activity of Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with N- (4-(2-Amino-3-Chloropyridin-4-Yloxy)-3-Fluorophenyl)-4- Ethoxy-1-(4-Fluorophenyl)-2-Oxo-1,2-Dihydropyridine-3- Carboxamide

All present enzymatic activity of Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with N- (4-(2-Amino-3-Chloropyridin-4-Yloxy)-3-Fluorophenyl)-4- Ethoxy-1-(4-Fluorophenyl)-2-Oxo-1,2-Dihydropyridine-3- Carboxamide:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with N- (4-(2-Amino-3-Chloropyridin-4-Yloxy)-3-Fluorophenyl)-4- Ethoxy-1-(4-Fluorophenyl)-2-Oxo-1,2-Dihydropyridine-3- Carboxamide, PDB code: 3f82 was solved by J.Sack, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 16.54 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.670, 46.883, 157.650, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 25.3

Other elements in 3f82:

The structure of Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with N- (4-(2-Amino-3-Chloropyridin-4-Yloxy)-3-Fluorophenyl)-4- Ethoxy-1-(4-Fluorophenyl)-2-Oxo-1,2-Dihydropyridine-3- Carboxamide also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with N- (4-(2-Amino-3-Chloropyridin-4-Yloxy)-3-Fluorophenyl)-4- Ethoxy-1-(4-Fluorophenyl)-2-Oxo-1,2-Dihydropyridine-3- Carboxamide (pdb code 3f82). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with N- (4-(2-Amino-3-Chloropyridin-4-Yloxy)-3-Fluorophenyl)-4- Ethoxy-1-(4-Fluorophenyl)-2-Oxo-1,2-Dihydropyridine-3- Carboxamide, PDB code: 3f82:

Chlorine binding site 1 out of 1 in 3f82

Go back to Chlorine Binding Sites List in 3f82
Chlorine binding site 1 out of 1 in the Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with N- (4-(2-Amino-3-Chloropyridin-4-Yloxy)-3-Fluorophenyl)-4- Ethoxy-1-(4-Fluorophenyl)-2-Oxo-1,2-Dihydropyridine-3- Carboxamide


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 the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with N- (4-(2-Amino-3-Chloropyridin-4-Yloxy)-3-Fluorophenyl)-4- Ethoxy-1-(4-Fluorophenyl)-2-Oxo-1,2-Dihydropyridine-3- Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2001

b:45.3
occ:1.00
 CL36 A:3532001 0.0 45.3 1.0
C16 A:3532001 1.7 33.1 1.0
C13 A:3532001 2.7 28.3 1.0
C17 A:3532001 2.7 27.4 1.0
O32 A:3532001 2.9 26.6 1.0
CG2 A:ILE1084 3.0 59.2 1.0
N28 A:3532001 3.0 24.3 1.0
CE A:MET1211 3.8 20.0 1.0
N26 A:3532001 4.0 28.7 1.0
C7 A:3532001 4.0 26.4 1.0
CZ A:PHE1223 4.0 27.2 1.0
CE1 A:PHE1223 4.2 27.9 1.0
C12 A:3532001 4.2 26.2 1.0
C9 A:3532001 4.4 28.1 1.0
CB A:ILE1084 4.4 58.8 1.0
CG1 A:VAL1092 4.7 47.8 1.0
C4 A:3532001 4.8 24.0 1.0
CD1 A:ILE1084 4.9 59.7 1.0

Reference:

G.M.Schroeder, Y.An, Z.W.Cai, X.T.Chen, C.Clark, L.A.Cornelius, J.Dai, J.Gullo-Brown, A.Gupta, B.Henley, J.T.Hunt, R.Jeyaseelan, A.Kamath, K.Kim, J.Lippy, L.J.Lombardo, V.Manne, S.Oppenheimer, J.S.Sack, R.J.Schmidt, G.Shen, K.Stefanski, J.S.Tokarski, G.L.Trainor, B.S.Wautlet, D.Wei, D.K.Williams, Y.Zhang, Y.Zhang, J.Fargnoli, R.M.Borzilleri. Discovery of N-(4-(2-Amino-3-Chloropyridin-4-Yloxy)-3- Fluorophenyl)-4-Ethoxy-1-(4-Fluorophenyl)-2-Oxo-1, 2-Dihydropyridine-3-Carboxamide (Bms-777607), A Selective and Orally Efficacious Inhibitor of the Met Kinase Superfamily J.Med.Chem. V. 52 1251 2009.
ISSN: ISSN 0022-2623
PubMed: 19260711
DOI: 10.1021/JM801586S
Page generated: Sat Jul 20 19:12:48 2024

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