Chlorine in PDB 4wo5: Crystal Structure of A Braf Kinase Domain Monomer

All present enzymatic activity of Crystal Structure of A Braf Kinase Domain Monomer:
2.7.11.1;

The structure of Crystal Structure of A Braf Kinase Domain Monomer, PDB code: 4wo5 was solved by D.A.Critton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.03 / 2.83
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	65.610, 72.748, 243.338, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 26

The structure of Crystal Structure of A Braf Kinase Domain Monomer also contains other interesting chemical elements:

Fluorine

(F)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Braf Kinase Domain Monomer (pdb code 4wo5). 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 A Braf Kinase Domain Monomer, PDB code: 4wo5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A Braf Kinase Domain Monomer


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 A Braf Kinase Domain Monomer within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:45.9 occ:1.00 CL10 A:324801 0.0 45.9 1.0 C6 A:324801 1.7 40.8 1.0 C1 A:324801 2.7 39.9 1.0 C5 A:324801 2.7 39.9 1.0 CG2 A:ILE463 3.4 69.3 1.0 OG A:SER535 3.6 58.7 1.0 N4 A:324801 4.0 40.4 1.0 C2 A:324801 4.0 39.4 1.0 CH2 A:TRP531 4.1 47.8 1.0 CA A:SER535 4.1 48.7 1.0 CD2 A:PHE583 4.2 36.9 1.0 CE2 A:PHE583 4.2 39.0 1.0 N A:SER536 4.4 51.1 1.0 CB A:SER535 4.4 51.2 1.0 C A:SER535 4.4 54.0 1.0 C3 A:324801 4.5 39.9 1.0 CZ3 A:TRP531 4.5 47.0 1.0 CZ2 A:TRP531 4.6 47.5 1.0 CB A:ILE463 4.7 68.1 1.0 O A:HOH933 4.9 53.0 1.0 CG1 A:ILE463 5.0 68.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Braf Kinase Domain Monomer


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 A Braf Kinase Domain Monomer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:49.8 occ:1.00 CL10 B:324801 0.0 49.8 1.0 C6 B:324801 1.7 41.9 1.0 C5 B:324801 2.7 40.2 1.0 C1 B:324801 2.7 38.7 1.0 CG2 B:ILE463 3.8 61.7 1.0 OG B:SER535 3.8 59.0 1.0 CA B:SER535 4.0 46.0 1.0 N4 B:324801 4.0 39.5 1.0 CH2 B:TRP531 4.0 44.1 1.0 CD2 B:PHE583 4.0 37.0 1.0 CE2 B:PHE583 4.0 39.3 1.0 C2 B:324801 4.1 36.9 1.0 N B:SER536 4.3 47.7 1.0 C B:SER535 4.3 50.4 1.0 CB B:SER535 4.4 50.0 1.0 CZ3 B:TRP531 4.5 43.6 1.0 C3 B:324801 4.5 37.4 1.0 CZ2 B:TRP531 4.5 43.6 1.0 CG1 B:ILE463 4.8 61.2 1.0 O B:CYS532 4.9 50.2 1.0 CB B:ILE463 4.9 60.9 1.0

N.Thevakumaran, H.Lavoie, D.A.Critton, A.Tebben, M.A.Poupart, A.Marinier, F.Sicheri, M.Therrien. Crystal Structure of A Braf Kinase Domain Monomer Explains Basis For Allosteric Regulation Nat.Struct.Mol.Biol. 2014.
ISSN: ESSN 1545-9985
DOI: 10.1038/NSMB.2924