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

Protein crystallography data

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

Other elements in 6v34:

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

Fluorine Binding Sites:

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 6v34

Go back to Fluorine Binding Sites List in 6v34
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 6v34

Go back to Fluorine Binding Sites List in 6v34
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 6v34

Go back to Fluorine Binding Sites List in 6v34
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 6v34

Go back to Fluorine Binding Sites List in 6v34
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 6v34

Go back to Fluorine Binding Sites List in 6v34
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 6v34

Go back to Fluorine Binding Sites List in 6v34
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

Reference:

G.Gonzalez Del-Pino, K.Li, M.J.Eck. Crystal Structure of Braf V600E Oncogenic Mutant in Complex with Tak-580 To Be Published.
Page generated: Sun Dec 13 13:22:44 2020

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