Atomistry » Fluorine » PDB 3ewh-3flq » 3f82
Atomistry »
  Fluorine »
    PDB 3ewh-3flq »
      3f82 »

Fluorine 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:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine 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 Fluorine atom.
In total 2 binding sites of Fluorine where 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:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 3f82

Go back to Fluorine Binding Sites List in 3f82
Fluorine binding site 1 out of 2 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 Fluorine with other atoms in the F 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:F2001

b:28.5
occ:1.00
 F34 A:3532001 0.0 28.5 1.0
C14 A:3532001 1.3 20.4 1.0
C6 A:3532001 2.3 18.1 1.0
C5 A:3532001 2.4 18.0 1.0
CD1 A:LEU1195 3.1 18.2 1.0
C2 A:3532001 3.6 19.3 1.0
C1 A:3532001 3.6 17.9 1.0
CG1 A:VAL1220 3.7 13.5 1.0
O A:VAL1220 3.8 11.2 1.0
CG1 A:VAL1139 3.8 14.7 1.0
CD2 A:HIS1202 3.9 17.5 1.0
CD2 A:LEU1195 3.9 20.6 1.0
CG A:LEU1195 4.1 18.0 1.0
C A:VAL1220 4.1 13.4 1.0
C10 A:3532001 4.1 21.0 1.0
CE2 A:PHE1200 4.2 17.9 1.0
NE2 A:HIS1202 4.2 17.2 1.0
CB A:VAL1220 4.3 13.7 1.0
CE2 A:PHE1134 4.3 42.6 1.0
CD2 A:PHE1134 4.4 40.9 1.0
N A:ALA1221 4.5 12.2 1.0
CA A:ALA1221 4.5 12.2 1.0
CZ A:PHE1200 4.7 16.6 1.0
CA A:VAL1220 4.8 11.2 1.0
CB A:VAL1139 4.9 15.3 1.0
CD2 A:PHE1200 4.9 16.1 1.0
C A:ALA1221 4.9 16.6 1.0

Fluorine binding site 2 out of 2 in 3f82

Go back to Fluorine Binding Sites List in 3f82
Fluorine binding site 2 out of 2 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 Fluorine with other atoms in the F binding site number 2 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:F2001

b:28.7
occ:1.00
 F35 A:3532001 0.0 28.7 1.0
C15 A:3532001 1.3 27.3 1.0
C8 A:3532001 2.3 25.7 1.0
C12 A:3532001 2.4 26.2 1.0
O32 A:3532001 2.8 26.6 1.0
CG1 A:VAL1092 3.2 47.8 1.0
CG2 A:VAL1092 3.3 48.0 1.0
CD1 A:LEU1157 3.5 31.0 1.0
C13 A:3532001 3.5 28.3 1.0
C11 A:3532001 3.6 23.5 1.0
C4 A:3532001 3.6 24.0 1.0
C7 A:3532001 3.7 26.4 1.0
CB A:LYS1110 3.8 36.0 1.0
CB A:VAL1092 3.9 48.3 1.0
C3 A:3532001 4.1 22.9 1.0
CB A:ALA1108 4.3 29.5 1.0
CG A:LYS1110 4.4 29.8 1.0
CA A:LYS1110 4.5 35.3 1.0
N A:LYS1110 4.5 35.6 1.0
CD A:LYS1110 4.5 35.4 1.0
C16 A:3532001 4.7 33.1 1.0
O31 A:3532001 4.8 30.5 1.0
N29 A:3532001 4.8 24.4 1.0
CG A:LEU1157 4.8 29.9 1.0
CE1 A:PHE1223 4.8 27.9 1.0
CA A:VAL1092 4.9 44.9 1.0
C A:VAL1109 4.9 39.2 1.0
C9 A:3532001 5.0 28.1 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: Mon Jul 14 16:12:19 2025

Last articles

Mg in 4JI1
Mg in 4JI0
Mg in 4JI2
Mg in 4JI3
Mg in 4JHD
Mg in 4JH6
Mg in 4JH8
Mg in 4JH7
Mg in 4JH3
Mg in 4JH5
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy