Atomistry » Fluorine » PDB 5esf-5fct » 5ew3
Atomistry »
  Fluorine »
    PDB 5esf-5fct »
      5ew3 »

Fluorine in PDB 5ew3: Human Vascular Endothelial Growth Factor Receptor 2 (Kdr) Kinase Domain in Complex with AAL993

Enzymatic activity of Human Vascular Endothelial Growth Factor Receptor 2 (Kdr) Kinase Domain in Complex with AAL993

All present enzymatic activity of Human Vascular Endothelial Growth Factor Receptor 2 (Kdr) Kinase Domain in Complex with AAL993:
2.7.10.1;

Protein crystallography data

The structure of Human Vascular Endothelial Growth Factor Receptor 2 (Kdr) Kinase Domain in Complex with AAL993, PDB code: 5ew3 was solved by W.Stark, A.Goepfert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.68 / 2.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 67.500, 55.760, 89.760, 90.00, 92.28, 90.00
R / Rfree (%) 21.8 / 25.4

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human Vascular Endothelial Growth Factor Receptor 2 (Kdr) Kinase Domain in Complex with AAL993 (pdb code 5ew3). 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 Vascular Endothelial Growth Factor Receptor 2 (Kdr) Kinase Domain in Complex with AAL993, PDB code: 5ew3:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 5ew3

Go back to Fluorine Binding Sites List in 5ew3
Fluorine binding site 1 out of 6 in the Human Vascular Endothelial Growth Factor Receptor 2 (Kdr) Kinase Domain in Complex with AAL993


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Vascular Endothelial Growth Factor Receptor 2 (Kdr) Kinase Domain in Complex with AAL993 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1201

b:46.0
occ:1.00
 F25 A:5T21201 0.0 46.0 1.0
C24 A:5T21201 1.4 43.0 1.0
F26 A:5T21201 2.2 47.0 1.0
F27 A:5T21201 2.2 40.9 1.0
C13 A:5T21201 2.4 41.2 1.0
C14 A:5T21201 2.8 40.8 1.0
CD1 A:LEU1019 3.6 43.5 1.0
C12 A:5T21201 3.7 41.6 1.0
CD2 A:LEU1019 3.7 44.0 1.0
CD1 A:ILE892 3.8 63.1 1.0
CD2 A:HIS1026 4.2 46.0 1.0
C15 A:5T21201 4.2 39.7 1.0
CG A:LEU1019 4.3 43.7 1.0
CG1 A:VAL898 4.3 44.6 1.0
NE2 A:HIS1026 4.5 45.7 1.0
CG2 A:ILE1044 4.8 36.8 1.0
C11 A:5T21201 4.8 40.0 1.0
O A:HOH1302 4.9 49.2 1.0
O A:ILE1044 5.0 38.0 1.0

Fluorine binding site 2 out of 6 in 5ew3

Go back to Fluorine Binding Sites List in 5ew3
Fluorine binding site 2 out of 6 in the Human Vascular Endothelial Growth Factor Receptor 2 (Kdr) Kinase Domain in Complex with AAL993


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Vascular Endothelial Growth Factor Receptor 2 (Kdr) Kinase Domain in Complex with AAL993 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1201

b:47.0
occ:1.00
 F26 A:5T21201 0.0 47.0 1.0
C24 A:5T21201 1.3 43.0 1.0
F25 A:5T21201 2.2 46.0 1.0
F27 A:5T21201 2.2 40.9 1.0
C13 A:5T21201 2.3 41.2 1.0
C12 A:5T21201 3.1 41.6 1.0
NE2 A:HIS1026 3.2 45.7 1.0
C14 A:5T21201 3.2 40.8 1.0
C A:CYS1045 3.2 39.1 1.0
O A:CYS1045 3.3 37.9 1.0
CA A:CYS1045 3.4 36.5 1.0
CD2 A:HIS1026 3.4 46.0 1.0
N A:CYS1045 3.5 36.0 1.0
CG2 A:ILE1044 3.6 36.8 1.0
C A:ILE1044 3.7 38.9 1.0
O A:ILE1044 3.7 38.0 1.0
N A:ASP1046 3.8 35.8 1.0
CB A:ASP1046 4.3 38.6 1.0
C11 A:5T21201 4.3 40.0 1.0
CE1 A:HIS1026 4.4 45.3 1.0
CB A:ILE1044 4.4 37.2 1.0
C15 A:5T21201 4.4 39.7 1.0
CA A:ASP1046 4.6 36.5 1.0
CA A:ILE1044 4.6 34.6 1.0
CD1 A:LEU1019 4.7 43.5 1.0
CG A:HIS1026 4.7 44.9 1.0
CB A:CYS1045 4.8 37.5 1.0
C16 A:5T21201 4.9 39.6 1.0
O10 A:5T21201 5.0 42.4 1.0

Fluorine binding site 3 out of 6 in 5ew3

Go back to Fluorine Binding Sites List in 5ew3
Fluorine binding site 3 out of 6 in the Human Vascular Endothelial Growth Factor Receptor 2 (Kdr) Kinase Domain in Complex with AAL993


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human Vascular Endothelial Growth Factor Receptor 2 (Kdr) Kinase Domain in Complex with AAL993 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1201

b:40.9
occ:1.00
 F27 A:5T21201 0.0 40.9 1.0
C24 A:5T21201 1.3 43.0 1.0
F26 A:5T21201 2.2 47.0 1.0
F25 A:5T21201 2.2 46.0 1.0
C13 A:5T21201 2.3 41.2 1.0
C12 A:5T21201 2.8 41.6 1.0
CG1 A:VAL898 3.3 44.6 1.0
O A:ILE1044 3.4 38.0 1.0
C14 A:5T21201 3.6 40.8 1.0
CG1 A:VAL899 3.8 50.6 1.0
C A:ILE1044 4.0 38.9 1.0
CA A:CYS1045 4.1 36.5 1.0
C11 A:5T21201 4.1 40.0 1.0
N A:VAL899 4.3 45.9 1.0
CD2 A:LEU889 4.3 51.1 1.0
N A:CYS1045 4.4 36.0 1.0
O A:VAL899 4.5 51.1 1.0
C A:CYS1045 4.6 39.1 1.0
CB A:VAL898 4.7 45.4 1.0
CD1 A:ILE892 4.7 63.1 1.0
C15 A:5T21201 4.7 39.7 1.0
CG2 A:ILE1044 4.8 36.8 1.0
CB A:VAL899 4.9 51.0 1.0
O10 A:5T21201 4.9 42.4 1.0
CA A:VAL898 4.9 42.0 1.0
C16 A:5T21201 4.9 39.6 1.0
CD2 A:LEU1019 5.0 44.0 1.0
N A:ASP1046 5.0 35.8 1.0
CA A:VAL899 5.0 46.5 1.0

Fluorine binding site 4 out of 6 in 5ew3

Go back to Fluorine Binding Sites List in 5ew3
Fluorine binding site 4 out of 6 in the Human Vascular Endothelial Growth Factor Receptor 2 (Kdr) Kinase Domain in Complex with AAL993


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Human Vascular Endothelial Growth Factor Receptor 2 (Kdr) Kinase Domain in Complex with AAL993 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1201

b:55.4
occ:1.00
 F25 B:5T21201 0.0 55.4 1.0
C24 B:5T21201 1.4 55.6 1.0
F27 B:5T21201 2.2 55.7 1.0
F26 B:5T21201 2.2 54.7 1.0
C13 B:5T21201 2.4 57.3 1.0
C14 B:5T21201 2.9 59.0 1.0
CD1 B:ILE892 3.5 69.0 1.0
CD2 B:LEU1019 3.5 61.1 1.0
C12 B:5T21201 3.6 57.0 1.0
CD1 B:LEU1019 3.8 60.6 1.0
CG1 B:VAL898 3.9 47.9 1.0
CG B:LEU1019 4.3 59.7 1.0
C15 B:5T21201 4.3 59.9 1.0
CG1 B:ILE892 4.7 65.4 1.0
CD2 B:HIS1026 4.7 74.2 1.0
C11 B:5T21201 4.8 57.0 1.0
O B:ILE1044 4.9 51.9 1.0
CD2 B:LEU889 4.9 61.9 1.0

Fluorine binding site 5 out of 6 in 5ew3

Go back to Fluorine Binding Sites List in 5ew3
Fluorine binding site 5 out of 6 in the Human Vascular Endothelial Growth Factor Receptor 2 (Kdr) Kinase Domain in Complex with AAL993


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Human Vascular Endothelial Growth Factor Receptor 2 (Kdr) Kinase Domain in Complex with AAL993 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1201

b:54.7
occ:1.00
 F26 B:5T21201 0.0 54.7 1.0
C24 B:5T21201 1.4 55.6 1.0
F25 B:5T21201 2.2 55.4 1.0
F27 B:5T21201 2.2 55.7 1.0
C13 B:5T21201 2.3 57.3 1.0
C14 B:5T21201 3.1 59.0 1.0
NE2 B:HIS1026 3.2 73.9 1.0
C12 B:5T21201 3.3 57.0 1.0
CD2 B:HIS1026 3.4 74.2 1.0
C B:CYS1045 3.5 54.6 1.0
CG2 B:ILE1044 3.6 51.4 1.0
O B:CYS1045 3.6 52.6 1.0
CA B:CYS1045 3.6 51.7 1.0
N B:CYS1045 3.7 51.5 1.0
O B:ILE1044 3.8 51.9 1.0
C B:ILE1044 3.8 53.0 1.0
N B:ASP1046 4.1 52.8 1.0
CB B:ILE1044 4.4 50.9 1.0
CD1 B:LEU1019 4.4 60.6 1.0
C15 B:5T21201 4.4 59.9 1.0
CE1 B:HIS1026 4.5 73.6 1.0
C11 B:5T21201 4.5 57.0 1.0
CB B:ASP1046 4.5 56.0 1.0
CG B:HIS1026 4.6 72.9 1.0
CA B:ILE1044 4.7 47.9 1.0
CG1 B:VAL898 4.8 47.9 1.0
CA B:ASP1046 4.9 53.9 1.0
C16 B:5T21201 4.9 59.0 1.0

Fluorine binding site 6 out of 6 in 5ew3

Go back to Fluorine Binding Sites List in 5ew3
Fluorine binding site 6 out of 6 in the Human Vascular Endothelial Growth Factor Receptor 2 (Kdr) Kinase Domain in Complex with AAL993


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Human Vascular Endothelial Growth Factor Receptor 2 (Kdr) Kinase Domain in Complex with AAL993 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1201

b:55.7
occ:1.00
 F27 B:5T21201 0.0 55.7 1.0
C24 B:5T21201 1.4 55.6 1.0
F25 B:5T21201 2.2 55.4 1.0
F26 B:5T21201 2.2 54.7 1.0
C13 B:5T21201 2.4 57.3 1.0
C12 B:5T21201 2.7 57.0 1.0
O B:ILE1044 3.2 51.9 1.0
CG1 B:VAL898 3.4 47.9 1.0
CG2 B:VAL899 3.5 52.2 1.0
C14 B:5T21201 3.7 59.0 1.0
C B:ILE1044 3.9 53.0 1.0
CA B:CYS1045 4.0 51.7 1.0
C11 B:5T21201 4.1 57.0 1.0
N B:VAL899 4.1 47.2 1.0
N B:CYS1045 4.3 51.5 1.0
CD2 B:LEU889 4.3 61.9 1.0
O B:VAL899 4.4 51.5 1.0
C B:CYS1045 4.5 54.6 1.0
O10 B:5T21201 4.6 54.5 1.0
CB B:VAL898 4.7 48.1 1.0
CB B:VAL899 4.7 52.5 1.0
CA B:VAL899 4.8 47.9 1.0
C15 B:5T21201 4.8 59.9 1.0
N B:ASP1046 4.9 52.8 1.0
CD1 B:ILE892 4.9 69.0 1.0
CA B:VAL898 4.9 44.5 1.0
C B:VAL898 4.9 48.9 1.0
C16 B:5T21201 4.9 59.0 1.0
N9 B:5T21201 4.9 54.9 1.0
CG2 B:ILE1044 4.9 51.4 1.0

Reference:

G.Bold, C.Schnell, P.Furet, P.Mcsheehy, J.Bruggen, J.Mestan, P.W.Manley, P.Druckes, M.Burglin, U.Durler, J.Loretan, R.Reuter, M.Wartmann, A.Theuer, B.Bauer-Probst, G.Martiny-Baron, P.Allegrini, A.Goepfert, J.Wood, A.Littlewood-Evans. A Novel Potent Oral Series of VEGFR2 Inhibitors Abrogate Tumor Growth By Inhibiting Angiogenesis. J.Med.Chem. V. 59 132 2016.
ISSN: ISSN 0022-2623
PubMed: 26629594
DOI: 10.1021/ACS.JMEDCHEM.5B01582
Page generated: Tue Jul 15 03:24:58 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy