Atomistry » Fluorine » PDB 3ewh-3flq » 3f66
Atomistry »
  Fluorine »
    PDB 3ewh-3flq »
      3f66 »

Fluorine in PDB 3f66: Human C-Met Kinase in Complex with Quinoxaline Inhibitor

Enzymatic activity of Human C-Met Kinase in Complex with Quinoxaline Inhibitor

All present enzymatic activity of Human C-Met Kinase in Complex with Quinoxaline Inhibitor:
2.7.10.1;

Protein crystallography data

The structure of Human C-Met Kinase in Complex with Quinoxaline Inhibitor, PDB code: 3f66 was solved by C.Meier, T.Ceska, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.40
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 47.377, 47.587, 75.600, 100.70, 103.62, 98.29
R / Rfree (%) 16.8 / 22.5

Other elements in 3f66:

The structure of Human C-Met Kinase in Complex with Quinoxaline Inhibitor also contains other interesting chemical elements:

Sodium (Na) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human C-Met Kinase in Complex with Quinoxaline Inhibitor (pdb code 3f66). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Human C-Met Kinase in Complex with Quinoxaline Inhibitor, PDB code: 3f66:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 3f66

Go back to Fluorine Binding Sites List in 3f66
Fluorine binding site 1 out of 6 in the Human C-Met Kinase in Complex with Quinoxaline Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human C-Met Kinase in Complex with Quinoxaline Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1

b:29.9
occ:1.00
 F17 A:IHX1 0.0 29.9 1.0
C14 A:IHX1 1.3 26.8 1.0
F15 A:IHX1 2.1 42.3 1.0
F16 A:IHX1 2.1 28.3 1.0
C12 A:IHX1 2.3 23.0 1.0
C11 A:IHX1 2.8 18.9 1.0
C10 A:IHX1 3.5 21.4 1.0
CD2 A:LEU1140 3.6 24.2 1.0
CA A:GBL3 3.6 22.1 1.0
O A:GBL3 3.6 22.1 1.0
CD1 A:LEU1157 3.9 28.4 1.0
C A:GBL3 3.9 20.3 1.0
C7 A:IHX1 4.2 21.3 1.0
CB A:LEU1157 4.6 21.7 1.0
C9 A:IHX1 4.6 22.7 1.0
CB A:ALA1226 4.8 23.0 1.0
CG A:LEU1140 4.8 19.3 1.0
CG A:LEU1157 4.8 23.6 1.0
CD1 A:LEU1140 4.8 24.4 1.0
CG A:MET1211 4.9 22.2 1.0
C8 A:IHX1 4.9 19.3 1.0

Fluorine binding site 2 out of 6 in 3f66

Go back to Fluorine Binding Sites List in 3f66
Fluorine binding site 2 out of 6 in the Human C-Met Kinase in Complex with Quinoxaline Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human C-Met Kinase in Complex with Quinoxaline Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1

b:42.3
occ:1.00
 F15 A:IHX1 0.0 42.3 1.0
C14 A:IHX1 1.3 26.8 1.0
F17 A:IHX1 2.1 29.9 1.0
F16 A:IHX1 2.2 28.3 1.0
C12 A:IHX1 2.3 23.0 1.0
C11 A:IHX1 2.9 18.9 1.0
C10 A:IHX1 3.2 21.4 1.0
CD1 A:LEU1157 3.2 28.4 1.0
CB A:ALA1108 3.5 27.2 1.0
CB A:LEU1157 3.6 21.7 1.0
CG A:LEU1157 4.1 23.6 1.0
CG1 A:VAL1092 4.1 25.9 1.0
C7 A:IHX1 4.2 21.3 1.0
C9 A:IHX1 4.4 22.7 1.0
O A:ALA1108 4.6 29.5 1.0
CA A:ALA1108 4.7 26.5 1.0
C A:ALA1108 4.8 24.6 1.0
O A:PRO1158 4.8 23.3 1.0
C8 A:IHX1 4.8 19.3 1.0
CA A:LEU1157 4.9 21.8 1.0
CG2 A:VAL1092 5.0 26.3 1.0

Fluorine binding site 3 out of 6 in 3f66

Go back to Fluorine Binding Sites List in 3f66
Fluorine binding site 3 out of 6 in the Human C-Met Kinase in Complex with Quinoxaline Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human C-Met Kinase in Complex with Quinoxaline Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1

b:28.3
occ:1.00
 F16 A:IHX1 0.0 28.3 1.0
C14 A:IHX1 1.3 26.8 1.0
F17 A:IHX1 2.1 29.9 1.0
F15 A:IHX1 2.2 42.3 1.0
C12 A:IHX1 2.4 23.0 1.0
C10 A:IHX1 2.8 21.4 1.0
O A:PRO1158 3.2 23.3 1.0
CB A:LEU1157 3.4 21.7 1.0
C11 A:IHX1 3.6 18.9 1.0
CD2 A:LEU1140 3.7 24.2 1.0
CD1 A:LEU1140 3.9 24.4 1.0
CD1 A:LEU1157 4.0 28.4 1.0
CB A:ALA1108 4.0 27.2 1.0
C9 A:IHX1 4.1 22.7 1.0
CG A:LEU1157 4.2 23.6 1.0
CG A:LEU1140 4.3 19.3 1.0
C A:PRO1158 4.3 20.9 1.0
C A:LEU1157 4.4 22.8 1.0
N A:PRO1158 4.4 22.7 1.0
CA A:LEU1157 4.5 21.8 1.0
CG A:MET1160 4.5 19.6 1.0
CD A:PRO1158 4.6 24.1 1.0
C7 A:IHX1 4.8 21.3 1.0
CD2 A:LEU1157 4.8 23.9 1.0
O A:LEU1157 4.9 23.8 1.0
N21 A:IHX1 4.9 23.6 1.0
C8 A:IHX1 5.0 19.3 1.0
CA A:PRO1158 5.0 23.0 1.0

Fluorine binding site 4 out of 6 in 3f66

Go back to Fluorine Binding Sites List in 3f66
Fluorine binding site 4 out of 6 in the Human C-Met Kinase in Complex with Quinoxaline Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Human C-Met Kinase in Complex with Quinoxaline Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F2

b:35.4
occ:1.00
 F17 B:IHX2 0.0 35.4 1.0
C14 B:IHX2 1.3 27.4 1.0
F16 B:IHX2 2.1 31.9 1.0
F15 B:IHX2 2.2 41.1 1.0
C12 B:IHX2 2.3 23.8 1.0
C11 B:IHX2 2.8 25.3 1.0
C10 B:IHX2 3.5 21.6 1.0
OD B:GBL1 3.5 29.3 1.0
O B:GBL1 3.7 21.6 1.0
CD1 B:LEU1157 3.7 28.3 1.0
CD2 B:LEU1140 3.8 26.4 1.0
C B:GBL1 3.9 21.4 1.0
C7 B:IHX2 4.1 21.7 1.0
CB B:LEU1157 4.5 23.1 1.0
C9 B:IHX2 4.6 18.8 1.0
CG B:LEU1157 4.7 24.4 1.0
C8 B:IHX2 4.8 19.1 1.0
CG B:GBL1 4.8 19.8 1.0
CB B:ALA1226 4.9 25.2 1.0
CE B:MET1211 5.0 23.6 1.0
C4 B:IHX2 5.0 23.8 1.0

Fluorine binding site 5 out of 6 in 3f66

Go back to Fluorine Binding Sites List in 3f66
Fluorine binding site 5 out of 6 in the Human C-Met Kinase in Complex with Quinoxaline Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Human C-Met Kinase in Complex with Quinoxaline Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F2

b:41.1
occ:1.00
 F15 B:IHX2 0.0 41.1 1.0
C14 B:IHX2 1.4 27.4 1.0
F17 B:IHX2 2.2 35.4 1.0
F16 B:IHX2 2.2 31.9 1.0
C12 B:IHX2 2.3 23.8 1.0
C11 B:IHX2 3.0 25.3 1.0
CD1 B:LEU1157 3.1 28.3 1.0
C10 B:IHX2 3.2 21.6 1.0
CB B:ALA1108 3.5 26.8 1.0
CB B:LEU1157 3.6 23.1 1.0
CG1 B:VAL1092 3.8 27.7 1.0
CG B:LEU1157 4.0 24.4 1.0
C7 B:IHX2 4.3 21.7 1.0
C9 B:IHX2 4.4 18.8 1.0
C B:ALA1108 4.7 25.2 1.0
CA B:ALA1108 4.7 23.0 1.0
O B:ALA1108 4.7 25.4 1.0
O B:PRO1158 4.8 22.5 1.0
CG2 B:VAL1092 4.8 29.2 1.0
C8 B:IHX2 4.8 19.1 1.0
CB B:VAL1092 4.9 26.9 1.0
CA B:LEU1157 4.9 23.2 1.0

Fluorine binding site 6 out of 6 in 3f66

Go back to Fluorine Binding Sites List in 3f66
Fluorine binding site 6 out of 6 in the Human C-Met Kinase in Complex with Quinoxaline Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Human C-Met Kinase in Complex with Quinoxaline Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F2

b:31.9
occ:1.00
 F16 B:IHX2 0.0 31.9 1.0
C14 B:IHX2 1.3 27.4 1.0
F17 B:IHX2 2.1 35.4 1.0
F15 B:IHX2 2.2 41.1 1.0
C12 B:IHX2 2.3 23.8 1.0
C10 B:IHX2 2.7 21.6 1.0
O B:PRO1158 3.1 22.5 1.0
CB B:LEU1157 3.3 23.1 1.0
C11 B:IHX2 3.6 25.3 1.0
CD2 B:LEU1140 3.8 26.4 1.0
CD1 B:LEU1157 3.8 28.3 1.0
C9 B:IHX2 4.1 18.8 1.0
CB B:ALA1108 4.1 26.8 1.0
CG B:LEU1157 4.1 24.4 1.0
C B:PRO1158 4.3 19.0 1.0
N B:PRO1158 4.4 23.9 1.0
CD1 B:LEU1140 4.4 24.8 1.0
C B:LEU1157 4.4 22.7 1.0
CA B:LEU1157 4.5 23.2 1.0
CD B:PRO1158 4.5 22.7 1.0
CG B:LEU1140 4.6 24.0 1.0
C7 B:IHX2 4.7 21.7 1.0
CD2 B:LEU1157 4.8 23.0 1.0
CG B:MET1160 4.8 23.4 1.0
O B:LEU1157 4.8 21.6 1.0
C8 B:IHX2 4.9 19.1 1.0
N21 B:IHX2 4.9 20.4 1.0
CA B:PRO1158 5.0 22.1 1.0

Reference:

J.Porter, S.Lumb, F.Lecomte, J.Reuberson, A.Foley, M.Calmiano, K.Le Riche, H.Edwards, J.Delgado, R.J.Franklin, J.M.Gascon-Simorte, A.Maloney, C.Meier, M.Batchelor. Discovery of A Novel Series of Quinoxalines As Inhibitors of C-Met Kinase. Bioorg.Med.Chem.Lett. V. 19 397 2009.
ISSN: ISSN 0960-894X
PubMed: 19059779
DOI: 10.1016/J.BMCL.2008.11.062
Page generated: Wed Jul 31 18:24:34 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy