Atomistry » Fluorine » PDB 1udb-1w5y » 1uwj
Atomistry »
  Fluorine »
    PDB 1udb-1w5y »
      1uwj »

Fluorine in PDB 1uwj: The Complex of Mutant V599E B-Raf and BAY439006.

Enzymatic activity of The Complex of Mutant V599E B-Raf and BAY439006.

All present enzymatic activity of The Complex of Mutant V599E B-Raf and BAY439006.:
2.7.1.37; 2.7.11.1;

Protein crystallography data

The structure of The Complex of Mutant V599E B-Raf and BAY439006., PDB code: 1uwj was solved by D.Barford, S.M.Roe, P.T.C.Wan, Cancer Genome Project, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.39 / 3.50
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 97.660, 97.660, 168.070, 90.00, 90.00, 90.00
R / Rfree (%) 27.5 / 35.7

Other elements in 1uwj:

The structure of The Complex of Mutant V599E B-Raf and BAY439006. also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Complex of Mutant V599E B-Raf and BAY439006. (pdb code 1uwj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the The Complex of Mutant V599E B-Raf and BAY439006., PDB code: 1uwj:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 1uwj

Go back to Fluorine Binding Sites List in 1uwj
Fluorine binding site 1 out of 6 in the The Complex of Mutant V599E B-Raf and BAY439006.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Complex of Mutant V599E B-Raf and BAY439006. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1723

b:2.5
occ:1.00
F8 A:BAX1723 0.0 2.5 1.0
C7 A:BAX1723 1.3 2.5 1.0
F10 A:BAX1723 2.2 2.5 1.0
F9 A:BAX1723 2.2 2.5 1.0
C6 A:BAX1723 2.2 2.5 1.0
C5 A:BAX1723 3.1 2.5 1.0
C1 A:BAX1723 3.1 2.5 1.0
CL11 A:BAX1723 3.6 2.5 1.0
CG2 A:ILE512 3.6 3.6 1.0
CD2 A:LEU566 3.7 3.6 1.0
CG2 A:THR507 3.9 3.6 1.0
CD2 A:LEU504 4.3 3.6 1.0
OG1 A:THR507 4.3 3.6 1.0
C2 A:BAX1723 4.3 2.5 1.0
C4 A:BAX1723 4.4 2.5 1.0
CD1 A:LEU566 4.4 3.6 1.0
CG A:LEU566 4.6 3.6 1.0
CB A:THR507 4.6 3.6 1.0
CG A:LEU504 4.8 3.6 1.0
C3 A:BAX1723 4.9 2.5 1.0
O A:VAL503 4.9 3.6 1.0

Fluorine binding site 2 out of 6 in 1uwj

Go back to Fluorine Binding Sites List in 1uwj
Fluorine binding site 2 out of 6 in the The Complex of Mutant V599E B-Raf and BAY439006.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The Complex of Mutant V599E B-Raf and BAY439006. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1723

b:2.5
occ:1.00
F9 A:BAX1723 0.0 2.5 1.0
C7 A:BAX1723 1.4 2.5 1.0
F10 A:BAX1723 2.2 2.5 1.0
F8 A:BAX1723 2.2 2.5 1.0
C6 A:BAX1723 2.3 2.5 1.0
C5 A:BAX1723 2.8 2.5 1.0
CL11 A:BAX1723 2.9 2.5 1.0
CD1 A:LEU566 3.3 3.6 1.0
C1 A:BAX1723 3.5 2.5 1.0
CD2 A:HIS573 3.5 3.6 1.0
CD2 A:LEU566 3.9 3.6 1.0
NE2 A:HIS573 4.1 3.6 1.0
CG A:LEU566 4.1 3.6 1.0
C4 A:BAX1723 4.2 2.5 1.0
CA A:GLY592 4.5 3.6 1.0
CG2 A:ILE512 4.5 3.6 1.0
CG A:HIS573 4.5 3.6 1.0
CG2 A:ILE591 4.5 3.6 1.0
C2 A:BAX1723 4.6 2.5 1.0
O A:ILE591 4.7 3.6 1.0
N A:GLY592 4.9 3.6 1.0
C A:GLY592 4.9 3.6 1.0
C3 A:BAX1723 4.9 2.5 1.0
C A:ILE591 4.9 3.6 1.0

Fluorine binding site 3 out of 6 in 1uwj

Go back to Fluorine Binding Sites List in 1uwj
Fluorine binding site 3 out of 6 in the The Complex of Mutant V599E B-Raf and BAY439006.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of The Complex of Mutant V599E B-Raf and BAY439006. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1723

b:2.5
occ:1.00
F10 A:BAX1723 0.0 2.5 1.0
C7 A:BAX1723 1.4 2.5 1.0
F9 A:BAX1723 2.2 2.5 1.0
F8 A:BAX1723 2.2 2.5 1.0
C6 A:BAX1723 2.3 2.5 1.0
C1 A:BAX1723 2.7 2.5 1.0
O A:ILE591 3.1 3.6 1.0
CA A:GLY592 3.2 3.6 1.0
CG2 A:ILE512 3.3 3.6 1.0
C5 A:BAX1723 3.7 2.5 1.0
C A:ILE591 3.7 3.6 1.0
N A:GLY592 3.8 3.6 1.0
C2 A:BAX1723 4.1 2.5 1.0
C A:GLY592 4.2 3.6 1.0
N A:ASP593 4.5 3.6 1.0
CL11 A:BAX1723 4.5 2.5 1.0
O15 A:BAX1723 4.6 2.5 1.0
CG2 A:ILE591 4.7 3.6 1.0
CD1 A:LEU566 4.7 3.6 1.0
CB A:ILE512 4.7 3.6 1.0
N A:LEU513 4.7 3.6 1.0
CD2 A:LEU504 4.7 3.6 1.0
C4 A:BAX1723 4.8 2.5 1.0
N12 A:BAX1723 4.8 2.5 1.0
C3 A:BAX1723 4.9 2.5 1.0
CB A:LEU513 4.9 3.6 1.0
CA A:ILE591 5.0 3.6 1.0
CB A:ILE591 5.0 3.6 1.0

Fluorine binding site 4 out of 6 in 1uwj

Go back to Fluorine Binding Sites List in 1uwj
Fluorine binding site 4 out of 6 in the The Complex of Mutant V599E B-Raf and BAY439006.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of The Complex of Mutant V599E B-Raf and BAY439006. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1723

b:2.5
occ:1.00
F8 B:BAX1723 0.0 2.5 1.0
C7 B:BAX1723 1.3 2.5 1.0
F10 B:BAX1723 2.1 2.5 1.0
C6 B:BAX1723 2.2 2.5 1.0
F9 B:BAX1723 2.2 2.5 1.0
C5 B:BAX1723 3.1 2.5 1.0
C1 B:BAX1723 3.2 2.5 1.0
CL11 B:BAX1723 3.5 2.5 1.0
CD2 B:LEU566 3.9 6.6 1.0
CG2 B:THR507 4.2 6.6 1.0
C4 B:BAX1723 4.3 2.5 1.0
C2 B:BAX1723 4.3 2.5 1.0
CG2 B:ILE512 4.3 6.6 1.0
CD2 B:LEU504 4.4 6.6 1.0
CG1 B:VAL503 4.6 6.6 1.0
CD1 B:LEU566 4.6 6.6 1.0
O B:VAL503 4.6 6.6 1.0
CG B:LEU504 4.7 6.6 1.0
OG1 B:THR507 4.8 6.6 1.0
C3 B:BAX1723 4.8 2.5 1.0
CG B:LEU566 4.9 6.6 1.0
CA B:LEU504 4.9 6.6 1.0
CG2 B:ILE571 4.9 6.6 1.0

Fluorine binding site 5 out of 6 in 1uwj

Go back to Fluorine Binding Sites List in 1uwj
Fluorine binding site 5 out of 6 in the The Complex of Mutant V599E B-Raf and BAY439006.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of The Complex of Mutant V599E B-Raf and BAY439006. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1723

b:2.5
occ:1.00
F9 B:BAX1723 0.0 2.5 1.0
C7 B:BAX1723 1.4 2.5 1.0
F10 B:BAX1723 2.2 2.5 1.0
F8 B:BAX1723 2.2 2.5 1.0
C6 B:BAX1723 2.3 2.5 1.0
C5 B:BAX1723 2.9 2.5 1.0
CL11 B:BAX1723 3.0 2.5 1.0
CD2 B:HIS573 3.3 6.6 1.0
C1 B:BAX1723 3.4 2.5 1.0
CD1 B:LEU566 3.6 6.6 1.0
NE2 B:HIS573 3.9 6.6 1.0
CD2 B:LEU566 4.2 6.6 1.0
C4 B:BAX1723 4.2 2.5 1.0
CG B:HIS573 4.3 6.6 1.0
CA B:GLY592 4.5 6.6 1.0
C2 B:BAX1723 4.5 2.5 1.0
CG B:LEU566 4.6 6.6 1.0
C B:GLY592 4.8 6.6 1.0
CG2 B:ILE591 4.8 6.6 1.0
N B:ASP593 4.9 6.6 1.0
C3 B:BAX1723 4.9 2.5 1.0
CB B:HIS573 4.9 6.6 1.0
CE1 B:HIS573 4.9 6.6 1.0
CG2 B:ILE512 5.0 6.6 1.0
O B:ILE591 5.0 6.6 1.0

Fluorine binding site 6 out of 6 in 1uwj

Go back to Fluorine Binding Sites List in 1uwj
Fluorine binding site 6 out of 6 in the The Complex of Mutant V599E B-Raf and BAY439006.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of The Complex of Mutant V599E B-Raf and BAY439006. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1723

b:2.5
occ:1.00
F10 B:BAX1723 0.0 2.5 1.0
C7 B:BAX1723 1.3 2.5 1.0
F8 B:BAX1723 2.1 2.5 1.0
F9 B:BAX1723 2.2 2.5 1.0
C6 B:BAX1723 2.3 2.5 1.0
C1 B:BAX1723 2.6 2.5 1.0
CA B:GLY592 3.5 6.6 1.0
O B:ILE591 3.5 6.6 1.0
CG2 B:ILE512 3.6 6.6 1.0
C5 B:BAX1723 3.7 2.5 1.0
C2 B:BAX1723 4.0 2.5 1.0
C B:ILE591 4.1 6.6 1.0
N B:GLY592 4.2 6.6 1.0
C B:GLY592 4.3 6.6 1.0
N B:ASP593 4.5 6.6 1.0
CD2 B:LEU504 4.6 6.6 1.0
CL11 B:BAX1723 4.6 2.5 1.0
CD1 B:LEU566 4.8 6.6 1.0
N12 B:BAX1723 4.8 2.5 1.0
C4 B:BAX1723 4.8 2.5 1.0
O15 B:BAX1723 4.8 2.5 1.0
C3 B:BAX1723 4.9 2.5 1.0
CG2 B:ILE591 5.0 6.6 1.0

Reference:

P.T.C.Wan, M.J.Garnett, S.M.Roe, S.Lee, D.Niculescu-Duvaz, V.M.Good, C.M.Jones, C.J.Marshall, C.J.Springer, D.Barford, R.Marais. Mechanism of Activation of the Raf-Erk Signaling Pathway By Oncogenic Mutations of B-Raf Cell(Cambridge,Mass.) V. 116 855 2004.
ISSN: ISSN 0092-8674
PubMed: 15035987
DOI: 10.1016/S0092-8674(04)00215-6
Page generated: Sun Dec 13 11:33:20 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy