Chlorine in PDB 8c7x: Crystal Structure of Braf in Complex with A Hybrid Compound 6

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

The structure of Crystal Structure of Braf in Complex with A Hybrid Compound 6, PDB code: 8c7x 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)	74.37 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.129, 97.56, 114.9, 90, 90, 90
R / Rfree (%)	15.3 / 17.1

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

Fluorine	(F)	4 atoms
Bromine	(Br)	3 atoms

The binding sites of Chlorine atom in the Crystal Structure of Braf in Complex with A Hybrid Compound 6 (pdb code 8c7x). 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 in Complex with A Hybrid Compound 6, PDB code: 8c7x:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Braf 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 in Complex with A Hybrid Compound 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl819 b:11.2 occ:1.00 CL A:TXV819 0.0 11.2 1.0 C23 A:TXV819 1.7 8.8 1.0 C22 A:TXV819 2.7 8.8 1.0 C24 A:TXV819 2.7 8.5 1.0 O A:HOH1075 3.6 29.9 1.0 C2 A:EDO805 3.8 27.8 1.0 O2 A:EDO805 3.9 31.2 1.0 CG2 A:ILE463 3.9 12.0 1.0 O A:HOH1160 3.9 39.8 1.0 O A:HOH1099 4.0 33.8 1.0 N3 A:TXV819 4.0 8.6 1.0 C21 A:TXV819 4.0 7.9 1.0 O1 A:EDO804 4.1 29.0 1.0 CH2 A:TRP531 4.3 9.9 1.0 CE2 A:PHE583 4.4 9.3 1.0 C20 A:TXV819 4.4 8.0 1.0 CZ3 A:TRP531 4.7 9.7 1.0 C2 A:EDO804 4.8 25.8 1.0 O A:HOH1030 4.8 16.3 1.0 CZ2 A:TRP531 4.9 9.7 1.0 C1 A:EDO804 5.0 25.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Braf 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 in Complex with A Hybrid Compound 6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl803 b:14.9 occ:1.00 CL B:TXV803 0.0 14.9 1.0 C23 B:TXV803 1.7 11.7 1.0 C22 B:TXV803 2.7 10.8 1.0 C24 B:TXV803 2.7 11.3 1.0 O B:HOH1084 3.6 33.4 1.0 CG2 B:ILE463 3.8 18.3 1.0 O B:HOH1081 3.9 46.6 1.0 N3 B:TXV803 4.0 10.4 1.0 C21 B:TXV803 4.0 9.9 1.0 CE2 B:PHE583 4.0 14.8 1.0 O B:ALA598 4.1 28.1 1.0 CH2 B:TRP531 4.2 13.7 1.0 C20 B:TXV803 4.4 10.1 1.0 CG2 B:THR599 4.6 26.6 1.0 C B:ALA598 4.6 27.1 1.0 CZ3 B:TRP531 4.6 13.2 1.0 CZ B:PHE583 4.6 15.1 1.0 CB B:ALA598 4.7 25.1 1.0 CZ2 B:TRP531 4.8 13.6 1.0 CB B:ILE463 5.0 18.1 1.0 O B:HOH939 5.0 23.2 1.0

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