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Fluorine in PDB 1uwh: The Complex of Wild Type B-Raf and BAY439006.

Enzymatic activity of The Complex of Wild Type B-Raf and BAY439006.

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

Protein crystallography data

The structure of The Complex of Wild Type B-Raf and BAY439006., PDB code: 1uwh 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) 29.91 / 2.95
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 110.280, 110.280, 143.010, 90.00, 90.00, 90.00
R / Rfree (%) 22.2 / 25.7

Other elements in 1uwh:

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

Chlorine (Cl) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Complex of Wild Type B-Raf and BAY439006. (pdb code 1uwh). 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 Wild Type B-Raf and BAY439006., PDB code: 1uwh:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 1uwh

Go back to Fluorine Binding Sites List in 1uwh
Fluorine binding site 1 out of 6 in the The Complex of Wild Type 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 Wild Type B-Raf and BAY439006. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1723

b:60.0
occ:1.00
 F8 A:BAX1723 0.0 60.0 1.0
C7 A:BAX1723 1.3 58.9 1.0
F10 A:BAX1723 2.1 61.3 1.0
F9 A:BAX1723 2.2 60.1 1.0
C6 A:BAX1723 2.2 58.8 1.0
C5 A:BAX1723 3.0 60.3 1.0
CL11 A:BAX1723 3.2 71.6 1.0
C1 A:BAX1723 3.3 55.0 1.0
CD2 A:LEU566 3.5 48.0 1.0
CG2 A:THR507 4.1 44.9 1.0
CD1 A:LEU566 4.2 47.6 1.0
CG1 A:VAL503 4.2 54.0 1.0
C4 A:BAX1723 4.2 57.6 1.0
C2 A:BAX1723 4.4 53.1 1.0
CG2 A:ILE512 4.4 38.9 1.0
CG A:LEU566 4.5 47.6 1.0
CD2 A:LEU504 4.5 47.5 1.0
C3 A:BAX1723 4.8 54.5 1.0
OG1 A:THR507 4.9 46.5 1.0
CG1 A:ILE512 4.9 39.2 1.0

Fluorine binding site 2 out of 6 in 1uwh

Go back to Fluorine Binding Sites List in 1uwh
Fluorine binding site 2 out of 6 in the The Complex of Wild Type 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 Wild Type B-Raf and BAY439006. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1723

b:60.1
occ:1.00
 F9 A:BAX1723 0.0 60.1 1.0
C7 A:BAX1723 1.3 58.9 1.0
F10 A:BAX1723 2.1 61.3 1.0
F8 A:BAX1723 2.2 60.0 1.0
C6 A:BAX1723 2.2 58.8 1.0
C5 A:BAX1723 2.9 60.3 1.0
CL11 A:BAX1723 3.1 71.6 1.0
C1 A:BAX1723 3.3 55.0 1.0
CD1 A:LEU566 3.5 47.6 1.0
CD2 A:HIS573 3.5 50.4 1.0
NE2 A:HIS573 3.6 50.8 1.0
CA A:GLY592 4.0 47.4 1.0
C4 A:BAX1723 4.2 57.6 1.0
CD2 A:LEU566 4.2 48.0 1.0
CG A:HIS573 4.4 50.7 1.0
CG2 A:ILE591 4.4 38.5 1.0
C A:GLY592 4.5 50.2 1.0
C2 A:BAX1723 4.5 53.1 1.0
N A:GLY592 4.5 45.7 1.0
CE1 A:HIS573 4.5 51.1 1.0
CG A:LEU566 4.5 47.6 1.0
O A:ILE591 4.6 44.4 1.0
C A:ILE591 4.7 43.7 1.0
O A:GLY592 4.8 50.1 1.0
C3 A:BAX1723 4.8 54.5 1.0
ND1 A:HIS573 4.9 51.5 1.0
N A:ASP593 5.0 52.5 1.0

Fluorine binding site 3 out of 6 in 1uwh

Go back to Fluorine Binding Sites List in 1uwh
Fluorine binding site 3 out of 6 in the The Complex of Wild Type 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 Wild Type B-Raf and BAY439006. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1723

b:61.3
occ:1.00
 F10 A:BAX1723 0.0 61.3 1.0
C7 A:BAX1723 1.3 58.9 1.0
F8 A:BAX1723 2.1 60.0 1.0
F9 A:BAX1723 2.1 60.1 1.0
C6 A:BAX1723 2.3 58.8 1.0
C1 A:BAX1723 2.6 55.0 1.0
CA A:GLY592 3.5 47.4 1.0
O A:ILE591 3.5 44.4 1.0
C5 A:BAX1723 3.7 60.3 1.0
CG2 A:ILE512 3.8 38.9 1.0
C2 A:BAX1723 4.0 53.1 1.0
C A:ILE591 4.1 43.7 1.0
CD2 A:LEU504 4.1 47.5 1.0
N A:GLY592 4.1 45.7 1.0
C A:GLY592 4.4 50.2 1.0
CL11 A:BAX1723 4.6 71.6 1.0
CG1 A:ILE512 4.6 39.2 1.0
O15 A:BAX1723 4.7 44.0 1.0
CB A:ILE512 4.7 38.9 1.0
C4 A:BAX1723 4.8 57.6 1.0
N12 A:BAX1723 4.8 47.5 1.0
N A:ASP593 4.8 52.5 1.0
CD2 A:LEU566 4.8 48.0 1.0
N A:LEU513 4.8 38.2 1.0
CD1 A:LEU566 4.9 47.6 1.0
C3 A:BAX1723 4.9 54.5 1.0
CB A:LEU513 5.0 36.2 1.0

Fluorine binding site 4 out of 6 in 1uwh

Go back to Fluorine Binding Sites List in 1uwh
Fluorine binding site 4 out of 6 in the The Complex of Wild Type 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 Wild Type B-Raf and BAY439006. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1723

b:63.1
occ:1.00
 F8 B:BAX1723 0.0 63.1 1.0
C7 B:BAX1723 1.3 62.1 1.0
F10 B:BAX1723 2.1 63.0 1.0
F9 B:BAX1723 2.2 64.8 1.0
C6 B:BAX1723 2.2 61.7 1.0
C5 B:BAX1723 2.9 62.3 1.0
CL11 B:BAX1723 3.2 73.2 1.0
C1 B:BAX1723 3.3 58.4 1.0
CD2 B:LEU566 3.5 46.4 1.0
CD1 B:LEU566 3.9 46.7 1.0
C4 B:BAX1723 4.2 60.9 1.0
CG B:LEU566 4.4 47.0 1.0
CG2 B:THR507 4.4 47.0 1.0
CG1 B:VAL503 4.4 56.2 1.0
C2 B:BAX1723 4.5 55.4 1.0
CG2 B:ILE512 4.5 34.7 1.0
CD2 B:LEU504 4.7 48.0 1.0
C3 B:BAX1723 4.9 57.7 1.0
CG1 B:ILE512 5.0 37.7 1.0

Fluorine binding site 5 out of 6 in 1uwh

Go back to Fluorine Binding Sites List in 1uwh
Fluorine binding site 5 out of 6 in the The Complex of Wild Type 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 Wild Type B-Raf and BAY439006. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1723

b:64.8
occ:1.00
 F9 B:BAX1723 0.0 64.8 1.0
C7 B:BAX1723 1.3 62.1 1.0
F10 B:BAX1723 2.1 63.0 1.0
F8 B:BAX1723 2.2 63.1 1.0
C6 B:BAX1723 2.2 61.7 1.0
C5 B:BAX1723 2.9 62.3 1.0
CL11 B:BAX1723 3.1 73.2 1.0
C1 B:BAX1723 3.3 58.4 1.0
NE2 B:HIS573 3.3 49.5 1.0
CD2 B:HIS573 3.3 49.2 1.0
CD1 B:LEU566 3.7 46.7 1.0
CA B:GLY592 3.8 48.5 1.0
C B:GLY592 4.1 50.4 1.0
CE1 B:HIS573 4.1 49.7 1.0
CG B:HIS573 4.1 49.0 1.0
C4 B:BAX1723 4.2 60.9 1.0
N B:GLY592 4.2 46.2 1.0
CG2 B:ILE591 4.2 37.9 1.0
O B:GLY592 4.4 50.1 1.0
C2 B:BAX1723 4.4 55.4 1.0
O B:ILE591 4.5 46.3 1.0
C B:ILE591 4.5 44.7 1.0
ND1 B:HIS573 4.6 49.5 1.0
N B:ASP593 4.6 52.5 1.0
CD2 B:LEU566 4.6 46.4 1.0
CG B:LEU566 4.8 47.0 1.0
C3 B:BAX1723 4.8 57.7 1.0

Fluorine binding site 6 out of 6 in 1uwh

Go back to Fluorine Binding Sites List in 1uwh
Fluorine binding site 6 out of 6 in the The Complex of Wild Type 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 Wild Type B-Raf and BAY439006. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1723

b:63.0
occ:1.00
 F10 B:BAX1723 0.0 63.0 1.0
C7 B:BAX1723 1.3 62.1 1.0
F9 B:BAX1723 2.1 64.8 1.0
F8 B:BAX1723 2.1 63.1 1.0
C6 B:BAX1723 2.3 61.7 1.0
C1 B:BAX1723 2.6 58.4 1.0
CA B:GLY592 3.2 48.5 1.0
O B:ILE591 3.3 46.3 1.0
C5 B:BAX1723 3.7 62.3 1.0
N B:GLY592 3.9 46.2 1.0
C B:ILE591 3.9 44.7 1.0
C2 B:BAX1723 4.0 55.4 1.0
CG2 B:ILE512 4.0 34.7 1.0
C B:GLY592 4.1 50.4 1.0
CD2 B:LEU504 4.3 48.0 1.0
N B:ASP593 4.5 52.5 1.0
CL11 B:BAX1723 4.6 73.2 1.0
O15 B:BAX1723 4.6 45.3 1.0
N12 B:BAX1723 4.7 49.1 1.0
C4 B:BAX1723 4.8 60.9 1.0
CG1 B:ILE512 4.8 37.7 1.0
N B:LEU513 4.8 37.5 1.0
C3 B:BAX1723 4.9 57.7 1.0
CG2 B:ILE591 4.9 37.9 1.0
O B:GLY592 4.9 50.1 1.0
CB B:ILE512 4.9 37.8 1.0
CB B:LEU513 4.9 36.8 1.0
CD1 B:LEU566 4.9 46.7 1.0
NE2 B:HIS573 5.0 49.5 1.0
CD2 B:LEU566 5.0 46.4 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 13:04:12 2024

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