Atomistry » Fluorine » PDB 2oh4-2pdk » 2p4i
Atomistry »
  Fluorine »
    PDB 2oh4-2pdk »
      2p4i »

Fluorine in PDB 2p4i: Evolution of A Highly Selective and Potent 2-(Pyridin-2-Yl)- 1,3,5-Triazine Tie-2 Kinase Inhibitor

Enzymatic activity of Evolution of A Highly Selective and Potent 2-(Pyridin-2-Yl)- 1,3,5-Triazine Tie-2 Kinase Inhibitor

All present enzymatic activity of Evolution of A Highly Selective and Potent 2-(Pyridin-2-Yl)- 1,3,5-Triazine Tie-2 Kinase Inhibitor:
2.7.10.1;

Protein crystallography data

The structure of Evolution of A Highly Selective and Potent 2-(Pyridin-2-Yl)- 1,3,5-Triazine Tie-2 Kinase Inhibitor, PDB code: 2p4i was solved by S.F.Bellon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 64.262, 63.189, 175.571, 90.00, 90.00, 90.00
R / Rfree (%) 24.6 / 30.3

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Evolution of A Highly Selective and Potent 2-(Pyridin-2-Yl)- 1,3,5-Triazine Tie-2 Kinase Inhibitor (pdb code 2p4i). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Evolution of A Highly Selective and Potent 2-(Pyridin-2-Yl)- 1,3,5-Triazine Tie-2 Kinase Inhibitor, PDB code: 2p4i:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 2p4i

Go back to Fluorine Binding Sites List in 2p4i
Fluorine binding site 1 out of 6 in the Evolution of A Highly Selective and Potent 2-(Pyridin-2-Yl)- 1,3,5-Triazine Tie-2 Kinase Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Evolution of A Highly Selective and Potent 2-(Pyridin-2-Yl)- 1,3,5-Triazine Tie-2 Kinase Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:37.5
occ:1.00
 F2 A:MR9301 0.0 37.5 1.0
C25 A:MR9301 1.3 38.2 1.0
F3 A:MR9301 2.1 39.1 1.0
F1 A:MR9301 2.1 38.2 1.0
C23 A:MR9301 2.3 37.1 1.0
C22 A:MR9301 3.0 37.0 1.0
C24 A:MR9301 3.3 36.9 1.0
CD2 A:HIS962 3.7 38.9 1.0
CG2 A:ILE980 3.7 37.6 1.0
NE2 A:HIS962 3.8 39.4 1.0
CD1 A:LEU955 3.9 38.6 1.0
C A:ALA981 4.0 42.1 1.0
CE2 A:PHE960 4.0 40.9 1.0
CZ A:PHE960 4.1 40.1 1.0
O A:ALA981 4.1 42.1 1.0
C21 A:MR9301 4.2 37.4 1.0
CA A:ALA981 4.2 41.2 1.0
CB A:ILE980 4.3 39.0 1.0
CB A:ASP982 4.3 44.2 1.0
O A:ILE980 4.3 39.9 1.0
C A:ILE980 4.3 39.8 1.0
N A:ASP982 4.3 43.1 1.0
N A:ALA981 4.4 40.2 1.0
C19 A:MR9301 4.4 38.5 1.0
C20 A:MR9301 4.8 38.8 1.0
CG A:HIS962 4.9 39.9 1.0
CA A:ASP982 4.9 44.3 1.0

Fluorine binding site 2 out of 6 in 2p4i

Go back to Fluorine Binding Sites List in 2p4i
Fluorine binding site 2 out of 6 in the Evolution of A Highly Selective and Potent 2-(Pyridin-2-Yl)- 1,3,5-Triazine Tie-2 Kinase Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Evolution of A Highly Selective and Potent 2-(Pyridin-2-Yl)- 1,3,5-Triazine Tie-2 Kinase Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:39.1
occ:1.00
 F3 A:MR9301 0.0 39.1 1.0
C25 A:MR9301 1.3 38.2 1.0
F2 A:MR9301 2.1 37.5 1.0
F1 A:MR9301 2.2 38.2 1.0
C23 A:MR9301 2.3 37.1 1.0
C22 A:MR9301 2.8 37.0 1.0
CD1 A:LEU879 3.4 58.2 1.0
CD1 A:LEU955 3.4 38.6 1.0
C24 A:MR9301 3.5 36.9 1.0
CD2 A:LEU955 3.8 38.4 1.0
CD2 A:LEU879 3.9 57.3 1.0
C21 A:MR9301 4.2 37.4 1.0
CG A:LEU879 4.2 57.8 1.0
CG A:LEU955 4.3 39.1 1.0
CZ A:PHE960 4.4 40.1 1.0
CE2 A:PHE960 4.4 40.9 1.0
C19 A:MR9301 4.7 38.5 1.0
CB A:ILE885 4.7 45.8 1.0
CG2 A:ILE885 4.8 45.5 1.0
O A:ILE980 4.8 39.9 1.0
CE1 A:PHE960 4.9 39.6 1.0
C20 A:MR9301 4.9 38.8 1.0
CD2 A:PHE960 5.0 40.1 1.0
CD1 A:ILE885 5.0 45.8 1.0
CB A:LEU879 5.0 57.7 1.0
CG1 A:ILE886 5.0 47.8 1.0
CG2 A:ILE980 5.0 37.6 1.0

Fluorine binding site 3 out of 6 in 2p4i

Go back to Fluorine Binding Sites List in 2p4i
Fluorine binding site 3 out of 6 in the Evolution of A Highly Selective and Potent 2-(Pyridin-2-Yl)- 1,3,5-Triazine Tie-2 Kinase Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Evolution of A Highly Selective and Potent 2-(Pyridin-2-Yl)- 1,3,5-Triazine Tie-2 Kinase Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:38.2
occ:1.00
 F1 A:MR9301 0.0 38.2 1.0
C25 A:MR9301 1.3 38.2 1.0
F2 A:MR9301 2.1 37.5 1.0
F3 A:MR9301 2.2 39.1 1.0
C23 A:MR9301 2.4 37.1 1.0
C24 A:MR9301 2.8 36.9 1.0
O A:ILE980 2.8 39.9 1.0
C A:ILE980 3.4 39.8 1.0
CG1 A:ILE886 3.5 47.8 1.0
C22 A:MR9301 3.7 37.0 1.0
CA A:ALA981 3.7 41.2 1.0
N A:ALA981 3.8 40.2 1.0
CB A:ILE980 4.0 39.0 1.0
C19 A:MR9301 4.2 38.5 1.0
C A:ALA981 4.2 42.1 1.0
CG2 A:ILE980 4.2 37.6 1.0
N A:ILE886 4.2 47.6 1.0
CB A:ILE885 4.3 45.8 1.0
CD1 A:ILE886 4.3 46.5 1.0
CA A:ILE980 4.4 39.0 1.0
O2 A:MR9301 4.5 41.5 1.0
CD1 A:LEU955 4.5 38.6 1.0
N A:ASP982 4.6 43.1 1.0
CB A:ILE886 4.6 48.5 1.0
CD1 A:LEU879 4.7 58.2 1.0
O A:ALA981 4.7 42.1 1.0
CG2 A:ILE885 4.8 45.5 1.0
CA A:ILE885 4.8 46.0 1.0
C21 A:MR9301 4.8 37.4 1.0
CG2 A:ILE886 4.8 47.5 1.0
CB A:ALA981 4.9 40.7 1.0

Fluorine binding site 4 out of 6 in 2p4i

Go back to Fluorine Binding Sites List in 2p4i
Fluorine binding site 4 out of 6 in the Evolution of A Highly Selective and Potent 2-(Pyridin-2-Yl)- 1,3,5-Triazine Tie-2 Kinase Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Evolution of A Highly Selective and Potent 2-(Pyridin-2-Yl)- 1,3,5-Triazine Tie-2 Kinase Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F302

b:52.5
occ:1.00
 F2 B:MR9302 0.0 52.5 1.0
C25 B:MR9302 1.3 54.3 1.0
F1 B:MR9302 2.1 52.7 1.0
F3 B:MR9302 2.1 52.1 1.0
C23 B:MR9302 2.3 55.6 1.0
O B:ALA981 2.9 43.4 1.0
C B:ALA981 3.1 43.6 1.0
C24 B:MR9302 3.2 55.2 1.0
C22 B:MR9302 3.2 56.1 1.0
NE2 B:HIS962 3.2 41.6 1.0
CG2 B:ILE980 3.4 38.5 1.0
CA B:ALA981 3.5 42.9 1.0
CD2 B:HIS962 3.5 41.1 1.0
N B:ALA981 3.6 42.0 1.0
N B:ASP982 3.7 44.8 1.0
C B:ILE980 3.9 41.1 1.0
O B:ILE980 3.9 41.0 1.0
CB B:ASP982 4.0 46.4 1.0
CE1 B:HIS962 4.4 41.9 1.0
C19 B:MR9302 4.4 56.4 1.0
CA B:ASP982 4.4 46.1 1.0
C21 B:MR9302 4.4 56.5 1.0
CB B:ILE980 4.5 39.6 1.0
CZ B:PHE960 4.7 41.9 1.0
CG B:HIS962 4.7 41.9 1.0
CE2 B:PHE960 4.8 42.9 1.0
CA B:ILE980 4.8 39.9 1.0
O2 B:MR9302 4.9 58.8 1.0
C20 B:MR9302 4.9 56.4 1.0
CB B:ALA981 5.0 42.7 1.0

Fluorine binding site 5 out of 6 in 2p4i

Go back to Fluorine Binding Sites List in 2p4i
Fluorine binding site 5 out of 6 in the Evolution of A Highly Selective and Potent 2-(Pyridin-2-Yl)- 1,3,5-Triazine Tie-2 Kinase Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Evolution of A Highly Selective and Potent 2-(Pyridin-2-Yl)- 1,3,5-Triazine Tie-2 Kinase Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F302

b:52.1
occ:1.00
 F3 B:MR9302 0.0 52.1 1.0
C25 B:MR9302 1.3 54.3 1.0
F2 B:MR9302 2.1 52.5 1.0
F1 B:MR9302 2.2 52.7 1.0
C23 B:MR9302 2.3 55.6 1.0
C22 B:MR9302 2.7 56.1 1.0
CZ B:PHE960 3.3 41.9 1.0
CE2 B:PHE960 3.5 42.9 1.0
C24 B:MR9302 3.6 55.2 1.0
CD2 B:LEU879 3.8 59.4 1.0
CD1 B:LEU879 3.8 59.1 1.0
C21 B:MR9302 4.1 56.5 1.0
CE1 B:PHE960 4.2 42.4 1.0
CD1 B:LEU955 4.3 42.3 1.0
CD2 B:HIS962 4.4 41.1 1.0
CG B:LEU879 4.4 59.9 1.0
CD2 B:PHE960 4.5 43.4 1.0
CG2 B:ILE980 4.6 38.5 1.0
CD2 B:LEU955 4.6 42.0 1.0
NE2 B:HIS962 4.7 41.6 1.0
C19 B:MR9302 4.7 56.4 1.0
C20 B:MR9302 4.9 56.4 1.0

Fluorine binding site 6 out of 6 in 2p4i

Go back to Fluorine Binding Sites List in 2p4i
Fluorine binding site 6 out of 6 in the Evolution of A Highly Selective and Potent 2-(Pyridin-2-Yl)- 1,3,5-Triazine Tie-2 Kinase Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Evolution of A Highly Selective and Potent 2-(Pyridin-2-Yl)- 1,3,5-Triazine Tie-2 Kinase Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F302

b:52.7
occ:1.00
 F1 B:MR9302 0.0 52.7 1.0
C25 B:MR9302 1.3 54.3 1.0
F2 B:MR9302 2.1 52.5 1.0
F3 B:MR9302 2.2 52.1 1.0
C23 B:MR9302 2.4 55.6 1.0
C24 B:MR9302 2.8 55.2 1.0
O B:ILE980 3.2 41.0 1.0
C22 B:MR9302 3.6 56.1 1.0
CG1 B:ILE886 3.7 48.8 1.0
CD1 B:LEU879 3.7 59.1 1.0
C B:ILE980 3.8 41.1 1.0
CA B:ALA981 3.9 42.9 1.0
N B:ALA981 4.1 42.0 1.0
C19 B:MR9302 4.2 56.4 1.0
CG2 B:ILE980 4.2 38.5 1.0
C B:ALA981 4.2 43.6 1.0
CD1 B:ILE886 4.3 48.0 1.0
CB B:ILE885 4.5 47.0 1.0
O B:ALA981 4.5 43.4 1.0
N B:ILE886 4.6 48.7 1.0
CB B:ILE980 4.8 39.6 1.0
C21 B:MR9302 4.8 56.5 1.0
N B:ASP982 4.8 44.8 1.0
CB B:ILE886 4.8 49.6 1.0
CD2 B:LEU879 4.8 59.4 1.0
O2 B:MR9302 4.9 58.8 1.0
CG B:LEU879 4.9 59.9 1.0
CA B:ILE980 4.9 39.9 1.0
CG2 B:ILE886 4.9 49.9 1.0

Reference:

B.L.Hodous, S.D.Geuns-Meyer, P.E.Hughes, B.K.Albrecht, S.Bellon, J.Bready, S.Caenepeel, V.J.Cee, S.C.Chaffee, A.Coxon, M.Emery, J.Fretland, P.Gallant, Y.Gu, D.Hoffman, R.E.Johnson, R.Kendall, J.L.Kim, A.M.Long, M.Morrison, P.R.Olivieri, V.F.Patel, A.Polverino, P.Rose, P.Tempest, L.Wang, D.A.Whittington, H.Zhao. Evolution of A Highly Selective and Potent 2-(Pyridin-2-Yl)-1,3,5-Triazine Tie-2 Kinase Inhibitor. J.Med.Chem. V. 50 611 2007.
ISSN: ISSN 0022-2623
PubMed: 17253678
DOI: 10.1021/JM061107L
Page generated: Sun Dec 13 11:38:46 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy