Chlorine 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:

Fluorine

(F)

6 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Braf V600E Oncogenic Mutant in Complex with Tak- 580, PDB code: 6v34:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Braf V600E Oncogenic Mutant in Complex with Tak- 580


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl801 b:76.4 occ:1.00 CL20 A:QOP801 0.0 76.4 1.0 C19 A:QOP801 1.8 63.8 1.0 C21 A:QOP801 2.7 62.1 1.0 C18 A:QOP801 2.8 53.1 1.0 F24 A:QOP801 2.8 54.9 1.0 C22 A:QOP801 3.1 53.8 1.0 F23 A:QOP801 3.2 44.5 1.0 CA A:HIS574 3.9 47.7 1.0 N17 A:QOP801 4.0 59.1 1.0 C26 A:QOP801 4.0 84.9 1.0 CG1 A:VAL504 4.0 66.0 1.0 O A:ILE573 4.1 77.3 1.0 O A:HIS574 4.2 73.5 1.0 CG2 A:ILE572 4.2 47.9 1.0 CD2 A:HIS574 4.4 68.5 1.0 F25 A:QOP801 4.4 51.6 1.0 CG A:HIS574 4.4 64.1 1.0 C A:HIS574 4.5 48.0 1.0 C16 A:QOP801 4.5 79.5 1.0 CB A:HIS574 4.6 48.5 1.0 C A:ILE573 4.7 72.6 1.0 N A:HIS574 4.7 64.4 1.0 NE2 A:HIS574 4.9 68.0 1.0 ND1 A:HIS574 4.9 68.8 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Braf V600E Oncogenic Mutant in Complex with Tak- 580


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl801 b:83.5 occ:1.00 CL32 A:QOP801 0.0 83.5 1.0 C31 A:QOP801 1.8 51.7 1.0 C02 A:QOP801 2.8 49.8 1.0 C06 A:QOP801 2.8 53.8 1.0 O30 A:QOP801 2.9 49.6 1.0 N01 A:QOP801 3.0 51.3 1.0 C07 A:QOP801 3.2 49.0 1.0 CG2 A:ILE463 3.9 57.7 1.0 N03 A:QOP801 4.0 48.8 1.0 N05 A:QOP801 4.0 54.4 1.0 CZ3 A:TRP531 4.0 54.8 1.0 CG2 A:VAL471 4.4 54.6 1.0 C04 A:QOP801 4.5 54.5 1.0 N08 A:QOP801 4.5 51.5 1.0 CH2 A:TRP531 4.6 56.3 1.0 CB A:ILE463 4.7 67.3 1.0 CE3 A:TRP531 4.8 53.8 1.0 CG1 A:VAL471 4.8 58.1 1.0 CB A:ALA481 5.0 51.3 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Braf V600E Oncogenic Mutant in Complex with Tak- 580


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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 B:Cl801 b:0.8 occ:1.00 CL20 B:QOP801 0.0 0.8 1.0 C19 B:QOP801 1.8 0.5 1.0 C18 B:QOP801 2.8 0.5 1.0 C21 B:QOP801 2.8 0.1 1.0 F24 B:QOP801 2.8 91.4 1.0 C22 B:QOP801 3.1 85.6 1.0 F23 B:QOP801 3.2 91.5 1.0 CA B:HIS574 3.8 73.5 1.0 O B:ILE573 3.9 81.2 1.0 N17 B:QOP801 4.0 90.9 1.0 O B:HIS574 4.0 67.9 1.0 C26 B:QOP801 4.0 96.5 1.0 CG2 B:ILE572 4.3 58.1 1.0 CG1 B:VAL504 4.3 56.4 1.0 C B:HIS574 4.3 64.0 1.0 CG B:HIS574 4.4 87.0 1.0 CD2 B:HIS574 4.4 87.4 1.0 F25 B:QOP801 4.4 62.4 1.0 C16 B:QOP801 4.5 80.5 1.0 C B:ILE573 4.5 81.0 1.0 N B:HIS574 4.5 78.0 1.0 CB B:HIS574 4.6 85.4 1.0 ND1 B:HIS574 4.8 85.7 1.0 NE2 B:HIS574 4.9 83.7 1.0

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl801 b:64.5 occ:1.00 CL32 B:QOP801 0.0 64.5 1.0 C31 B:QOP801 1.8 70.8 1.0 C02 B:QOP801 2.7 65.5 1.0 C06 B:QOP801 2.8 56.2 1.0 O30 B:QOP801 2.9 58.6 1.0 N01 B:QOP801 3.0 59.2 1.0 C07 B:QOP801 3.2 56.9 1.0 N03 B:QOP801 4.0 60.6 1.0 N05 B:QOP801 4.0 54.4 1.0 CZ3 B:TRP531 4.1 61.8 1.0 CG2 B:ILE463 4.2 82.1 1.0 C04 B:QOP801 4.5 54.0 1.0 N08 B:QOP801 4.6 55.7 1.0 CH2 B:TRP531 4.6 70.5 1.0 CG1 B:VAL471 4.8 64.4 1.0 CE3 B:TRP531 4.8 57.5 1.0 CB B:ILE463 4.9 74.5 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.