Chlorine in PDB 1uwj: The Complex of Mutant V599E B-Raf and BAY439006.

All present enzymatic activity of The Complex of Mutant V599E B-Raf and BAY439006.:
2.7.1.37; 2.7.11.1;

The structure of The Complex of Mutant V599E B-Raf and BAY439006., PDB code: 1uwj was solved by D.Barford, S.M.Roe, P.T.C.Wan, Cancer Genome Project, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.39 / 3.50
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	97.660, 97.660, 168.070, 90.00, 90.00, 90.00
R / Rfree (%)	27.5 / 35.7

The structure of The Complex of Mutant V599E B-Raf and BAY439006. also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Chlorine atom in the The Complex of Mutant V599E B-Raf and BAY439006. (pdb code 1uwj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Complex of Mutant V599E B-Raf and BAY439006., PDB code: 1uwj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Complex of Mutant V599E B-Raf and BAY439006.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Complex of Mutant V599E B-Raf and BAY439006. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1723 b:2.5 occ:1.00 CL11 A:BAX1723 0.0 2.5 1.0 C5 A:BAX1723 1.8 2.5 1.0 C4 A:BAX1723 2.7 2.5 1.0 C6 A:BAX1723 2.8 2.5 1.0 F9 A:BAX1723 2.9 2.5 1.0 C7 A:BAX1723 3.2 2.5 1.0 F8 A:BAX1723 3.6 2.5 1.0 CG2 A:ILE571 3.8 3.6 1.0 C3 A:BAX1723 4.0 2.5 1.0 C1 A:BAX1723 4.1 2.5 1.0 CG1 A:VAL503 4.2 3.6 1.0 CA A:HIS573 4.2 3.6 1.0 CD2 A:HIS573 4.2 3.6 1.0 O A:ILE572 4.4 3.6 1.0 C2 A:BAX1723 4.5 2.5 1.0 F10 A:BAX1723 4.5 2.5 1.0 CG A:HIS573 4.5 3.6 1.0 CD2 A:LEU566 4.6 3.6 1.0 CB A:HIS573 4.7 3.6 1.0 O A:HIS573 4.7 3.6 1.0 CD1 A:LEU566 4.9 3.6 1.0 N A:HIS573 4.9 3.6 1.0 NE2 A:HIS573 4.9 3.6 1.0 C A:ILE572 4.9 3.6 1.0 C A:HIS573 5.0 3.6 1.0

Chlorine binding site 2 out of 2 in the The Complex of Mutant V599E B-Raf and BAY439006.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Complex of Mutant V599E B-Raf and BAY439006. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1723 b:2.5 occ:1.00 CL11 B:BAX1723 0.0 2.5 1.0 C5 B:BAX1723 1.8 2.5 1.0 C4 B:BAX1723 2.7 2.5 1.0 C6 B:BAX1723 2.9 2.5 1.0 F9 B:BAX1723 3.0 2.5 1.0 C7 B:BAX1723 3.3 2.5 1.0 F8 B:BAX1723 3.5 2.5 1.0 C3 B:BAX1723 4.0 2.5 1.0 C1 B:BAX1723 4.1 2.5 1.0 CG1 B:VAL503 4.2 6.6 1.0 CA B:HIS573 4.3 6.6 1.0 CG2 B:ILE571 4.3 6.6 1.0 O B:HIS573 4.3 6.6 1.0 O B:ILE572 4.4 6.6 1.0 CD2 B:HIS573 4.5 6.6 1.0 C2 B:BAX1723 4.5 2.5 1.0 F10 B:BAX1723 4.6 2.5 1.0 CG B:HIS573 4.7 6.6 1.0 C B:HIS573 4.8 6.6 1.0 NE2 B:HIS573 4.9 6.6 1.0 CB B:HIS573 4.9 6.6 1.0

P.T.C.Wan, M.J.Garnett, S.M.Roe, S.Lee, D.Niculescu-Duvaz, V.M.Good, C.M.Jones, C.J.Marshall, C.J.Springer, D.Barford, R.Marais. Mechanism of Activation of the Raf-Erk Signaling Pathway By Oncogenic Mutations of B-Raf Cell(Cambridge,Mass.) V. 116 855 2004.
ISSN: ISSN 0092-8674
PubMed: 15035987
DOI: 10.1016/S0092-8674(04)00215-6