Fluorine in PDB 6v34: Crystal Structure of Braf V600E Oncogenic Mutant in Complex with Tak- 580

The structure of Crystal Structure of Braf V600E Oncogenic Mutant in Complex with Tak- 580, PDB code: 6v34 was solved by G.Gonzalez Del-Pino, K.Li, M.J.Eck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.92 / 3.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.802, 85.244, 122.905, 90.00, 90.00, 90.00
R / Rfree (%)	25.5 / 28.6

The structure of Crystal Structure of Braf V600E Oncogenic Mutant in Complex with Tak- 580 also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Fluorine atom in the Crystal Structure of Braf V600E Oncogenic Mutant in Complex with Tak- 580 (pdb code 6v34). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Braf V600E Oncogenic Mutant in Complex with Tak- 580, PDB code: 6v34:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the Crystal Structure of Braf V600E Oncogenic Mutant in Complex with Tak- 580


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 Braf V600E Oncogenic Mutant in Complex with Tak- 580 within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:44.5 occ:1.00 F23 A:QOP801 0.0 44.5 1.0 C22 A:QOP801 1.4 53.8 1.0 F25 A:QOP801 2.2 51.6 1.0 F24 A:QOP801 2.2 54.9 1.0 C21 A:QOP801 2.3 62.1 1.0 C19 A:QOP801 3.0 63.8 1.0 CL20 A:QOP801 3.2 76.4 1.0 C26 A:QOP801 3.3 84.9 1.0 CD2 A:LEU567 3.8 44.4 1.0 CG1 A:VAL504 3.9 66.0 1.0 CG2 A:THR508 4.1 60.5 1.0 C18 A:QOP801 4.3 53.1 1.0 CD2 A:LEU505 4.4 46.8 1.0 C16 A:QOP801 4.5 79.5 1.0 CD1 A:LEU567 4.5 44.1 1.0 CG2 A:ILE513 4.6 42.6 1.0 CG2 A:ILE572 4.7 47.9 1.0 CG A:LEU567 4.8 58.4 1.0 N17 A:QOP801 4.8 59.1 1.0

Fluorine binding site 2 out of 6 in the Crystal Structure of Braf V600E Oncogenic Mutant in Complex with Tak- 580


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 Braf V600E Oncogenic Mutant in Complex with Tak- 580 within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:54.9 occ:1.00 F24 A:QOP801 0.0 54.9 1.0 C22 A:QOP801 1.4 53.8 1.0 F25 A:QOP801 2.2 51.6 1.0 F23 A:QOP801 2.2 44.5 1.0 C21 A:QOP801 2.4 62.1 1.0 CL20 A:QOP801 2.8 76.4 1.0 C19 A:QOP801 2.9 63.8 1.0 CD2 A:HIS574 3.0 68.5 1.0 NE2 A:HIS574 3.5 68.0 1.0 C26 A:QOP801 3.5 84.9 1.0 CD1 A:LEU567 3.8 44.1 1.0 CG A:HIS574 3.9 64.1 1.0 C18 A:QOP801 4.2 53.1 1.0 CG2 A:ILE592 4.4 52.9 1.0 CD2 A:LEU567 4.4 44.4 1.0 CE1 A:HIS574 4.4 74.6 1.0 CA A:GLY593 4.5 56.0 1.0 C A:GLY593 4.6 57.0 1.0 CB A:HIS574 4.6 48.5 1.0 C16 A:QOP801 4.6 79.5 1.0 ND1 A:HIS574 4.7 68.8 1.0 O A:ILE592 4.7 58.3 1.0 CG A:LEU567 4.8 58.4 1.0 O A:GLY593 4.8 83.8 1.0 CA A:HIS574 4.8 47.7 1.0 N17 A:QOP801 4.9 59.1 1.0 N A:GLY593 4.9 58.3 1.0 C A:ILE592 4.9 49.8 1.0

Fluorine binding site 3 out of 6 in the Crystal Structure of Braf V600E Oncogenic Mutant in Complex with Tak- 580


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 Braf V600E Oncogenic Mutant in Complex with Tak- 580 within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:51.6 occ:1.00 F25 A:QOP801 0.0 51.6 1.0 C22 A:QOP801 1.4 53.8 1.0 F24 A:QOP801 2.2 54.9 1.0 F23 A:QOP801 2.2 44.5 1.0 C21 A:QOP801 2.4 62.1 1.0 C26 A:QOP801 2.7 84.9 1.0 O A:ILE592 3.3 58.3 1.0 CA A:GLY593 3.5 56.0 1.0 C19 A:QOP801 3.6 63.8 1.0 CG2 A:ILE513 3.9 42.6 1.0 C A:ILE592 3.9 49.8 1.0 C16 A:QOP801 4.1 79.5 1.0 N A:GLY593 4.1 58.3 1.0 CD2 A:LEU505 4.2 46.8 1.0 C A:GLY593 4.3 57.0 1.0 CL20 A:QOP801 4.4 76.4 1.0 O27 A:QOP801 4.5 72.2 1.0 N A:ASP594 4.7 44.8 1.0 C18 A:QOP801 4.7 53.1 1.0 CG2 A:ILE592 4.7 52.9 1.0 CD2 A:HIS574 4.8 68.5 1.0 NE2 A:HIS574 4.8 68.0 1.0 N17 A:QOP801 4.9 59.1 1.0 CD1 A:ILE513 4.9 48.3 1.0 O A:GLY593 4.9 83.8 1.0 N15 A:QOP801 5.0 78.0 1.0

Fluorine binding site 4 out of 6 in the Crystal Structure of Braf V600E Oncogenic Mutant in Complex with Tak- 580


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Braf V600E Oncogenic Mutant in Complex with Tak- 580 within 5.0Å range: probe atom residue distance (Å) B Occ B:F801 b:91.5 occ:1.00 F23 B:QOP801 0.0 91.5 1.0 C22 B:QOP801 1.4 85.6 1.0 F25 B:QOP801 2.2 62.4 1.0 F24 B:QOP801 2.2 91.4 1.0 C21 B:QOP801 2.4 0.1 1.0 C19 B:QOP801 3.1 0.5 1.0 CL20 B:QOP801 3.2 0.8 1.0 C26 B:QOP801 3.3 96.5 1.0 CG1 B:VAL504 3.6 56.4 1.0 CD2 B:LEU567 3.9 54.5 1.0 CG2 B:ILE572 4.3 58.1 1.0 C18 B:QOP801 4.3 0.5 1.0 CD2 B:LEU505 4.3 51.8 1.0 CG2 B:THR508 4.4 51.6 1.0 CD1 B:LEU567 4.4 56.5 1.0 C16 B:QOP801 4.5 80.5 1.0 CG B:LEU567 4.8 55.8 1.0 CG2 B:ILE513 4.8 55.0 1.0 N17 B:QOP801 4.9 90.9 1.0 CB B:VAL504 5.0 57.3 1.0

Fluorine binding site 5 out of 6 in the Crystal Structure of Braf V600E Oncogenic Mutant in Complex with Tak- 580


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Braf V600E Oncogenic Mutant in Complex with Tak- 580 within 5.0Å range: probe atom residue distance (Å) B Occ B:F801 b:91.4 occ:1.00 F24 B:QOP801 0.0 91.4 1.0 C22 B:QOP801 1.4 85.6 1.0 F25 B:QOP801 2.2 62.4 1.0 F23 B:QOP801 2.2 91.5 1.0 C21 B:QOP801 2.4 0.1 1.0 CL20 B:QOP801 2.8 0.8 1.0 C19 B:QOP801 2.9 0.5 1.0 CD2 B:HIS574 3.1 87.4 1.0 C26 B:QOP801 3.5 96.5 1.0 NE2 B:HIS574 3.6 83.7 1.0 CD1 B:LEU567 3.6 56.5 1.0 CG B:HIS574 3.9 87.0 1.0 C18 B:QOP801 4.2 0.5 1.0 CD2 B:LEU567 4.4 54.5 1.0 CE1 B:HIS574 4.5 85.3 1.0 CB B:HIS574 4.5 85.4 1.0 C16 B:QOP801 4.6 80.5 1.0 CA B:HIS574 4.7 73.5 1.0 ND1 B:HIS574 4.7 85.7 1.0 CG B:LEU567 4.7 55.8 1.0 CG2 B:ILE592 4.7 56.8 1.0 CA B:GLY593 4.8 55.5 1.0 N17 B:QOP801 4.9 90.9 1.0 C B:GLY593 4.9 57.3 1.0 O B:ILE592 5.0 57.4 1.0

Fluorine binding site 6 out of 6 in the Crystal Structure of Braf V600E Oncogenic Mutant in Complex with Tak- 580


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Braf V600E Oncogenic Mutant in Complex with Tak- 580 within 5.0Å range: probe atom residue distance (Å) B Occ B:F801 b:62.4 occ:1.00 F25 B:QOP801 0.0 62.4 1.0 C22 B:QOP801 1.4 85.6 1.0 F24 B:QOP801 2.2 91.4 1.0 F23 B:QOP801 2.2 91.5 1.0 C21 B:QOP801 2.4 0.1 1.0 C26 B:QOP801 2.7 96.5 1.0 O B:ILE592 3.6 57.4 1.0 C19 B:QOP801 3.7 0.5 1.0 CG2 B:ILE513 3.9 55.0 1.0 CA B:GLY593 4.0 55.5 1.0 CD2 B:LEU505 4.1 51.8 1.0 C16 B:QOP801 4.1 80.5 1.0 C B:ILE592 4.3 60.4 1.0 CL20 B:QOP801 4.4 0.8 1.0 N B:GLY593 4.5 63.2 1.0 C B:GLY593 4.7 57.3 1.0 O27 B:QOP801 4.7 55.6 1.0 C18 B:QOP801 4.7 0.5 1.0 CD2 B:LEU567 4.8 54.5 1.0 CD1 B:ILE513 4.8 52.6 1.0 CD1 B:LEU567 4.8 56.5 1.0 CD2 B:HIS574 4.8 87.4 1.0 N17 B:QOP801 4.9 90.9 1.0 NE2 B:HIS574 4.9 83.7 1.0 N15 B:QOP801 5.0 61.3 1.0 CG2 B:ILE592 5.0 56.8 1.0

G.Gonzalez Del-Pino, K.Li, M.J.Eck. Crystal Structure of Braf V600E Oncogenic Mutant in Complex with Tak-580 To Be Published.