Atomistry » Fluorine » PDB 3uyt-3vrb » 3vhe
Atomistry »
  Fluorine »
    PDB 3uyt-3vrb »
      3vhe »

Fluorine in PDB 3vhe: Crystal Structure of Human VEGFR2 Kinase Domain with A Novel Pyrrolopyrimidine Inhibitor.

Enzymatic activity of Crystal Structure of Human VEGFR2 Kinase Domain with A Novel Pyrrolopyrimidine Inhibitor.

All present enzymatic activity of Crystal Structure of Human VEGFR2 Kinase Domain with A Novel Pyrrolopyrimidine Inhibitor.:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Human VEGFR2 Kinase Domain with A Novel Pyrrolopyrimidine Inhibitor., PDB code: 3vhe was solved by Y.Oguro, N.Miyamoto, K.Okada, T.Takagi, H.Iwata, Y.Awazu, H.Miki, A.Hori, K.Kamiyama, S.Imanura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.84 / 1.55
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 134.340, 56.270, 52.070, 90.00, 95.24, 90.00
R / Rfree (%) n/a / n/a

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human VEGFR2 Kinase Domain with A Novel Pyrrolopyrimidine Inhibitor. (pdb code 3vhe). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Human VEGFR2 Kinase Domain with A Novel Pyrrolopyrimidine Inhibitor., PDB code: 3vhe:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 3vhe

Go back to Fluorine Binding Sites List in 3vhe
Fluorine binding site 1 out of 4 in the Crystal Structure of Human VEGFR2 Kinase Domain with A Novel Pyrrolopyrimidine Inhibitor.


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 Human VEGFR2 Kinase Domain with A Novel Pyrrolopyrimidine Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1170

b:13.7
occ:1.00
F34 A:42Q1170 0.0 13.7 1.0
C22 A:42Q1170 1.3 12.2 1.0
C21 A:42Q1170 2.4 10.4 1.0
C23 A:42Q1170 2.4 11.2 1.0
N27 A:42Q1170 2.7 11.2 1.0
CG1 A:VAL916 3.5 10.0 1.0
CB A:LYS868 3.5 11.2 1.0
C20 A:42Q1170 3.7 11.2 1.0
C18 A:42Q1170 3.7 10.1 1.0
CD A:LYS868 3.7 13.8 1.0
CG2 A:VAL916 3.7 11.4 1.0
C28 A:42Q1170 3.8 11.1 1.0
C19 A:42Q1170 4.2 10.7 1.0
CG A:LYS868 4.2 13.2 1.0
CB A:VAL916 4.3 9.9 1.0
CG1 A:VAL914 4.4 13.1 1.0
OE2 A:GLU885 4.5 15.3 1.0
O31 A:42Q1170 4.5 11.7 1.0
O A:VAL914 4.6 10.1 1.0
N29 A:42Q1170 4.6 11.5 1.0
CG2 A:VAL899 4.7 21.1 1.0
N A:LYS868 4.7 9.8 1.0
CA A:LYS868 4.7 10.0 1.0
O17 A:42Q1170 4.9 10.7 1.0
CB A:VAL914 5.0 11.6 1.0
N4 A:42Q1170 5.0 11.7 1.0

Fluorine binding site 2 out of 4 in 3vhe

Go back to Fluorine Binding Sites List in 3vhe
Fluorine binding site 2 out of 4 in the Crystal Structure of Human VEGFR2 Kinase Domain with A Novel Pyrrolopyrimidine Inhibitor.


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 Human VEGFR2 Kinase Domain with A Novel Pyrrolopyrimidine Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1170

b:23.5
occ:1.00
F45 A:42Q1170 0.0 23.5 1.0
C44 A:42Q1170 1.3 18.5 1.0
F47 A:42Q1170 2.2 21.6 1.0
F46 A:42Q1170 2.2 20.7 1.0
C38 A:42Q1170 2.3 16.4 1.0
C39 A:42Q1170 3.0 12.6 1.0
C37 A:42Q1170 3.4 16.5 1.0
CG1 A:VAL898 3.4 14.8 1.0
CG1 A:VAL899 4.0 20.1 1.0
O A:ILE1044 4.0 10.2 1.0
CD1 A:ILE892 4.3 12.4 1.0
C30 A:42Q1170 4.3 13.7 1.0
CD2 A:LEU889 4.5 14.5 1.0
C A:ILE1044 4.6 9.8 1.0
CD1 A:LEU1019 4.6 17.3 1.0
CA A:CYS1045 4.6 9.8 1.0
CG2 A:ILE1044 4.6 14.3 1.0
C36 A:42Q1170 4.6 15.3 1.0
CB A:VAL898 4.8 12.1 1.0
N A:CYS1045 4.9 9.5 1.0
N A:VAL899 4.9 11.0 1.0
CB A:ILE1044 5.0 10.4 1.0
O31 A:42Q1170 5.0 11.7 1.0

Fluorine binding site 3 out of 4 in 3vhe

Go back to Fluorine Binding Sites List in 3vhe
Fluorine binding site 3 out of 4 in the Crystal Structure of Human VEGFR2 Kinase Domain with A Novel Pyrrolopyrimidine Inhibitor.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Human VEGFR2 Kinase Domain with A Novel Pyrrolopyrimidine Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1170

b:20.7
occ:1.00
F46 A:42Q1170 0.0 20.7 1.0
C44 A:42Q1170 1.3 18.5 1.0
F47 A:42Q1170 2.2 21.6 1.0
F45 A:42Q1170 2.2 23.5 1.0
C38 A:42Q1170 2.3 16.4 1.0
C39 A:42Q1170 2.9 12.6 1.0
C A:CYS1045 3.3 9.5 1.0
CA A:CYS1045 3.4 9.8 1.0
CG2 A:ILE1044 3.4 14.3 1.0
C37 A:42Q1170 3.5 16.5 1.0
O A:CYS1045 3.5 9.3 1.0
CD2 A:HIS1026 3.5 12.5 1.0
NE2 A:HIS1026 3.6 12.7 1.0
N A:CYS1045 3.6 9.5 1.0
C A:ILE1044 3.8 9.8 1.0
N A:ASP1046 3.8 10.3 1.0
O A:ILE1044 3.9 10.2 1.0
CB A:ASP1046 4.3 12.6 1.0
C30 A:42Q1170 4.3 13.7 1.0
CB A:ILE1044 4.3 10.4 1.0
O A:HOH2067 4.4 26.0 1.0
O31 A:42Q1170 4.6 11.7 1.0
CA A:ASP1046 4.6 10.4 1.0
C36 A:42Q1170 4.7 15.3 1.0
CE1 A:HIS1026 4.7 12.9 1.0
CG A:HIS1026 4.7 12.5 1.0
CA A:ILE1044 4.7 8.4 1.0
CB A:CYS1045 4.8 10.1 1.0
CG1 A:VAL899 4.9 20.1 1.0
C35 A:42Q1170 5.0 14.9 1.0

Fluorine binding site 4 out of 4 in 3vhe

Go back to Fluorine Binding Sites List in 3vhe
Fluorine binding site 4 out of 4 in the Crystal Structure of Human VEGFR2 Kinase Domain with A Novel Pyrrolopyrimidine Inhibitor.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Human VEGFR2 Kinase Domain with A Novel Pyrrolopyrimidine Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1170

b:21.6
occ:1.00
F47 A:42Q1170 0.0 21.6 1.0
C44 A:42Q1170 1.3 18.5 1.0
F45 A:42Q1170 2.2 23.5 1.0
F46 A:42Q1170 2.2 20.7 1.0
C38 A:42Q1170 2.3 16.4 1.0
C37 A:42Q1170 2.7 16.5 1.0
CD1 A:LEU1019 3.6 17.3 1.0
CD2 A:LEU1019 3.7 17.8 1.0
C39 A:42Q1170 3.7 12.6 1.0
O A:HOH2067 4.0 26.0 1.0
CD2 A:HIS1026 4.0 12.5 1.0
C36 A:42Q1170 4.1 15.3 1.0
CD1 A:ILE892 4.2 12.4 1.0
CG A:LEU1019 4.3 16.8 1.0
O A:HOH2109 4.4 29.8 1.0
NE2 A:HIS1026 4.6 12.7 1.0
CG2 A:ILE1044 4.6 14.3 1.0
CG A:HIS1026 4.7 12.5 1.0
C30 A:42Q1170 4.8 13.7 1.0

Reference:

Y.Oguro, N.Miyamoto, K.Okada, T.Takagi, H.Iwata, Y.Awazu, H.Miki, A.Hori, K.Kamiyama, S.Imamura. Design, Synthesis, and Evaluation of 5-Methyl-4-Phenoxy-5H-Pyrrolo[3,2-D]Pyrimidine Derivatives: Novel VEGFR2 Kinase Inhibitors Binding to Inactive Kinase Conformation. Bioorg.Med.Chem. V. 18 7260 2010.
ISSN: ISSN 0968-0896
PubMed: 20833055
DOI: 10.1016/J.BMC.2010.08.017
Page generated: Wed Jul 31 23:17:40 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