Bromine 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
Chlorine	(Cl)	2 atoms

The binding sites of Bromine 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 Bromine atom.
In total 3 binding sites of Bromine where determined in the Crystal Structure of Braf in Complex with A Hybrid Compound 6, PDB code: 8c7x:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the Crystal Structure of Braf in Complex with A Hybrid Compound 6


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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:Br816 b:12.2 occ:0.90 O A:HOH928 3.5 20.5 1.0 NH2 A:ARG662 3.5 12.1 1.0 CD A:ARG662 3.7 11.2 1.0 CG A:ARG662 3.8 11.0 1.0 CZ A:ARG662 4.5 12.3 1.0 O A:SER614 4.6 20.4 1.0 O A:HOH1148 4.6 21.4 1.0 O A:HOH948 4.6 15.2 1.0 NE A:ARG662 4.6 11.5 1.0 CG2 A:ILE617 4.6 9.6 0.5 CD2 A:LEU618 4.8 9.3 1.0 CG A:LEU618 4.9 8.9 1.0 CD1 A:LEU618 4.9 9.2 1.0

Bromine binding site 2 out of 3 in the Crystal Structure of Braf in Complex with A Hybrid Compound 6


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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 A:Br817 b:13.5 occ:0.80 O A:HOH1112 3.3 19.1 1.0 N A:ARG662 3.3 11.4 1.0 O A:HOH953 3.7 11.1 1.0 CZ A:ARG662 3.7 12.3 1.0 CA A:ASN661 3.8 12.8 1.0 NH1 A:ARG662 3.9 13.1 1.0 NH2 A:ARG662 3.9 12.1 1.0 CB A:ASN661 4.0 14.2 1.0 CB A:ARG662 4.0 11.1 1.0 CG A:ARG662 4.1 11.0 1.0 C A:ASN661 4.1 11.8 1.0 NE A:ARG662 4.1 11.5 1.0 CA A:ARG662 4.3 11.2 1.0 CD A:ARG662 4.7 11.2 1.0 O A:ASN660 4.8 13.9 1.0 O A:HOH974 4.8 41.6 1.0

Bromine binding site 3 out of 3 in the Crystal Structure of Braf in Complex with A Hybrid Compound 6


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Braf in Complex with A Hybrid Compound 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br818 b:18.1 occ:0.65 NE B:ARG509 3.4 8.3 1.0 NE A:ARG509 3.4 8.5 1.0 CZ2 B:TRP450 3.5 13.6 1.0 CZ2 A:TRP450 3.5 13.9 1.0 NH2 A:ARG509 3.6 8.7 1.0 NH2 B:ARG509 3.6 8.6 1.0 NE1 A:TRP450 3.6 16.1 1.0 O B:HOH1048 3.6 42.2 1.0 NE1 B:TRP450 3.6 15.3 1.0 CE2 A:TRP450 3.8 14.0 1.0 CE2 B:TRP450 3.9 14.1 1.0 CZ B:ARG509 3.9 8.4 1.0 CZ A:ARG509 3.9 8.5 1.0 O B:ARG506 4.1 12.8 1.0 O A:ARG506 4.2 12.1 1.0 CD B:ARG509 4.4 8.3 1.0 OD2 B:ASP448 4.4 55.6 1.0 CD A:ARG509 4.5 8.3 1.0 CH2 B:TRP450 4.6 13.2 1.0 CH2 A:TRP450 4.6 13.2 1.0 CD1 A:TRP450 4.8 15.4 1.0 CD1 B:TRP450 4.8 15.4 1.0 CG B:ARG509 4.9 8.2 1.0 CG A:ARG509 4.9 8.1 1.0 OD1 B:ASP448 5.0 62.3 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.