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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: Wed Jul 31 13:04:17 2024

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