Chlorine in PDB 8c7y: Crystal Structure of Braf V600E in Complex with A Hybrid Compound 6

All present enzymatic activity of Crystal Structure of Braf V600E in Complex with A Hybrid Compound 6:
2.7.11.1;

The structure of Crystal Structure of Braf V600E in Complex with A Hybrid Compound 6, PDB code: 8c7y was solved by A.Chaikuad, P.Bonnet, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	74.55 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.269, 97.739, 115.279, 90, 90, 90
R / Rfree (%)	15.2 / 17.5

The structure of Crystal Structure of Braf V600E in Complex with A Hybrid Compound 6 also contains other interesting chemical elements:

Fluorine

(F)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Braf V600E in Complex with A Hybrid Compound 6 (pdb code 8c7y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Braf V600E in Complex with A Hybrid Compound 6, PDB code: 8c7y:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Braf V600E in Complex with A Hybrid Compound 6


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 in Complex with A Hybrid Compound 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl819 b:11.8 occ:1.00 CL A:TXV819 0.0 11.8 1.0 C23 A:TXV819 1.8 8.8 1.0 C24 A:TXV819 2.7 8.9 1.0 C22 A:TXV819 2.7 8.5 1.0 O2 A:EDO804 3.7 31.7 1.0 O A:HOH1049 3.7 31.7 1.0 C2 A:EDO804 3.8 28.5 1.0 O A:HOH1077 3.9 32.6 1.0 CG2 A:ILE463 3.9 14.3 1.0 N3 A:TXV819 4.0 8.8 1.0 C21 A:TXV819 4.0 7.9 1.0 O A:HOH1029 4.0 36.1 1.0 O2 A:EDO806 4.3 34.9 1.0 CE2 A:PHE583 4.3 9.4 1.0 CH2 A:TRP531 4.4 11.5 1.0 C20 A:TXV819 4.4 8.0 1.0 C1 A:EDO806 4.7 30.6 1.0 CZ3 A:TRP531 4.7 11.3 1.0 O A:HOH1042 4.7 15.3 1.0 CZ A:PHE583 4.9 9.4 1.0 CZ2 A:TRP531 5.0 11.3 1.0 C2 A:EDO806 5.0 32.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Braf V600E in Complex with A Hybrid Compound 6


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 in Complex with A Hybrid Compound 6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl803 b:13.6 occ:1.00 CL B:TXV803 0.0 13.6 1.0 C23 B:TXV803 1.7 10.7 1.0 C22 B:TXV803 2.7 9.9 1.0 C24 B:TXV803 2.7 10.4 1.0 O B:HOH1087 3.6 35.5 1.0 O B:HOH912 3.8 41.6 1.0 O B:HOH1092 3.8 47.4 1.0 CG2 B:ILE463 3.8 20.6 1.0 CE2 B:PHE583 3.9 13.7 1.0 N3 B:TXV803 4.0 9.5 1.0 C21 B:TXV803 4.0 8.9 1.0 O B:ALA598 4.0 33.7 1.0 CH2 B:TRP531 4.1 12.8 1.0 C20 B:TXV803 4.4 8.9 1.0 CZ B:PHE583 4.4 14.3 1.0 CZ3 B:TRP531 4.5 12.5 1.0 CB B:ALA598 4.7 29.1 1.0 C B:ALA598 4.7 31.2 1.0 CZ2 B:TRP531 4.7 12.8 1.0 CG2 B:THR599 4.7 29.2 1.0 O B:HOH946 4.8 18.2 1.0 CB B:ILE463 4.9 20.2 1.0

A.Chaikuad, P.Bonnet, S.Knapp, Structural Genomics Consortium (Sgc). Crystal Structure of Braf V600E in Complex with A Hybrid Compound 6 To Be Published.