Atomistry » Fluorine » PDB 461d-4azy » 4asd
Atomistry »
  Fluorine »
    PDB 461d-4azy »
      4asd »

Fluorine in PDB 4asd: Crystal Structure of VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with Sorafenib (Bay 43-9006)

Enzymatic activity of Crystal Structure of VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with Sorafenib (Bay 43-9006)

All present enzymatic activity of Crystal Structure of VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with Sorafenib (Bay 43-9006):
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with Sorafenib (Bay 43-9006), PDB code: 4asd was solved by M.Mctigue, Y.Deng, K.Ryan, A.Brooun, W.Diehl, A.Stewart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 2.03
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 135.818, 56.479, 52.052, 90.00, 95.42, 90.00
R / Rfree (%) 17.5 / 23

Other elements in 4asd:

The structure of Crystal Structure of VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with Sorafenib (Bay 43-9006) also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with Sorafenib (Bay 43-9006) (pdb code 4asd). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with Sorafenib (Bay 43-9006), PDB code: 4asd:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 4asd

Go back to Fluorine Binding Sites List in 4asd
Fluorine binding site 1 out of 3 in the Crystal Structure of VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with Sorafenib (Bay 43-9006)


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 VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with Sorafenib (Bay 43-9006) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1500

b:28.9
occ:1.00
F8 A:BAX1500 0.0 28.9 1.0
C7 A:BAX1500 1.4 28.4 1.0
F10 A:BAX1500 2.1 28.7 1.0
F9 A:BAX1500 2.2 29.6 1.0
C6 A:BAX1500 2.4 27.9 1.0
C5 A:BAX1500 3.0 29.0 1.0
CL11 A:BAX1500 3.1 33.6 1.0
CD2 A:HIS1026 3.4 21.1 1.0
CG2 A:ILE1044 3.4 20.4 1.0
C1 A:BAX1500 3.4 28.1 1.0
CD1 A:LEU1019 3.5 25.9 1.0
NE2 A:HIS1026 3.7 20.7 1.0
C A:CYS1045 4.2 17.5 1.0
O A:CYS1045 4.2 17.8 1.0
CA A:CYS1045 4.3 17.7 1.0
C4 A:BAX1500 4.4 28.4 1.0
N A:CYS1045 4.4 17.6 1.0
C A:ILE1044 4.4 18.0 1.0
CB A:ILE1044 4.4 18.9 1.0
CG A:HIS1026 4.5 22.9 1.0
CD2 A:LEU1019 4.5 24.5 1.0
O A:ILE1044 4.5 17.3 1.0
C2 A:BAX1500 4.6 26.8 1.0
CG A:LEU1019 4.6 25.8 1.0
N A:ASP1046 4.7 17.9 1.0
CE1 A:HIS1026 4.9 21.4 1.0
CB A:ASP1046 4.9 18.8 1.0
C3 A:BAX1500 5.0 27.7 1.0

Fluorine binding site 2 out of 3 in 4asd

Go back to Fluorine Binding Sites List in 4asd
Fluorine binding site 2 out of 3 in the Crystal Structure of VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with Sorafenib (Bay 43-9006)


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 VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with Sorafenib (Bay 43-9006) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1500

b:29.6
occ:1.00
F9 A:BAX1500 0.0 29.6 1.0
C7 A:BAX1500 1.4 28.4 1.0
F10 A:BAX1500 2.2 28.7 1.0
F8 A:BAX1500 2.2 28.9 1.0
C6 A:BAX1500 2.4 27.9 1.0
C5 A:BAX1500 3.1 29.0 1.0
CL11 A:BAX1500 3.1 33.6 1.0
CD2 A:LEU1019 3.3 24.5 1.0
C1 A:BAX1500 3.5 28.1 1.0
CD1 A:LEU1019 3.7 25.9 1.0
CD1 A:ILE892 4.0 23.9 1.0
CG A:LEU1019 4.1 25.8 1.0
C4 A:BAX1500 4.4 28.4 1.0
CD2 A:LEU889 4.5 21.7 1.0
CB A:VAL898 4.6 20.4 1.0
C2 A:BAX1500 4.7 26.8 1.0
CG2 A:ILE892 4.9 23.3 1.0
CG2 A:ILE1044 4.9 20.4 1.0
CG1 A:VAL898 4.9 19.5 1.0
O A:ILE1044 4.9 17.3 1.0

Fluorine binding site 3 out of 3 in 4asd

Go back to Fluorine Binding Sites List in 4asd
Fluorine binding site 3 out of 3 in the Crystal Structure of VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with Sorafenib (Bay 43-9006)


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 VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with Sorafenib (Bay 43-9006) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1500

b:28.7
occ:1.00
F10 A:BAX1500 0.0 28.7 1.0
C7 A:BAX1500 1.4 28.4 1.0
F8 A:BAX1500 2.1 28.9 1.0
F9 A:BAX1500 2.2 29.6 1.0
C6 A:BAX1500 2.4 27.9 1.0
C1 A:BAX1500 2.7 28.1 1.0
O A:ILE1044 3.0 17.3 1.0
CA A:CYS1045 3.5 17.7 1.0
C A:ILE1044 3.5 18.0 1.0
C5 A:BAX1500 3.7 29.0 1.0
N A:CYS1045 3.8 17.6 1.0
CG2 A:ILE1044 4.0 20.4 1.0
CG1 A:VAL899 4.0 21.9 1.0
C A:CYS1045 4.1 17.5 1.0
C2 A:BAX1500 4.2 26.8 1.0
O15 A:BAX1500 4.2 16.6 1.0
N A:VAL899 4.3 19.8 1.0
CB A:ILE1044 4.4 18.9 1.0
CL11 A:BAX1500 4.5 33.6 1.0
CB A:VAL898 4.5 20.4 1.0
N A:ASP1046 4.5 17.9 1.0
CA A:ILE1044 4.6 18.3 1.0
O A:CYS1045 4.6 17.8 1.0
CB A:CYS1045 4.7 16.6 1.0
CD1 A:LEU1019 4.8 25.9 1.0
CA A:VAL898 4.8 19.7 1.0
C4 A:BAX1500 4.9 28.4 1.0
CD2 A:LEU889 4.9 21.7 1.0
O A:VAL899 4.9 21.0 1.0
CB A:VAL899 5.0 20.8 1.0

Reference:

M.Mctigue, B.W.Murray, J.H.Chen, Y.Deng, J.Solowiej, R.S.Kania. Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors. Proc.Natl.Acad.Sci.Usa V. 109 18281 2012.
ISSN: ISSN 0027-8424
PubMed: 22988103
DOI: 10.1073/PNAS.1207759109
Page generated: Thu Aug 1 00:03:27 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