Chlorine in PDB 5t0p: C-Src Kinase Domain in Complex with Rao-IV-151

All present enzymatic activity of C-Src Kinase Domain in Complex with Rao-IV-151:
2.7.10.2;

The structure of C-Src Kinase Domain in Complex with Rao-IV-151, PDB code: 5t0p was solved by E.M.Dieter, E.A.Merritt, D.J.Maly, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	73.33 / 2.50
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	41.675, 63.922, 74.994, 102.08, 90.36, 90.14
R / Rfree (%)	26.4 / 32.3

The binding sites of Chlorine atom in the C-Src Kinase Domain in Complex with Rao-IV-151 (pdb code 5t0p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the C-Src Kinase Domain in Complex with Rao-IV-151, PDB code: 5t0p:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the C-Src Kinase Domain in Complex with Rao-IV-151


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of C-Src Kinase Domain in Complex with Rao-IV-151 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl600 b:0.8 occ:1.00 CL A:73A600 0.0 0.8 1.0 C8 A:73A600 1.7 97.4 1.0 C7 A:73A600 2.7 97.2 1.0 C9 A:73A600 2.7 92.0 1.0 CG2 A:THR338 3.6 74.6 1.0 SD A:MET314 3.8 0.3 1.0 CE A:MET314 3.8 0.9 1.0 CD A:LYS295 4.0 0.7 1.0 C6 A:73A600 4.0 96.7 1.0 C10 A:73A600 4.0 90.8 1.0 OE1 A:GLU310 4.0 0.4 1.0 CG2 A:ILE336 4.0 94.3 1.0 CB A:LYS295 4.3 0.1 1.0 C5 A:73A600 4.5 98.1 1.0 OD1 A:ASP404 4.6 0.2 1.0 CB A:ILE336 4.7 0.9 1.0 OE2 A:GLU310 4.7 0.1 1.0 CG A:LYS295 4.8 0.6 1.0 CB A:THR338 4.8 70.9 1.0 CD A:GLU310 4.8 0.8 1.0 OG1 A:THR338 4.9 64.5 1.0

Chlorine binding site 2 out of 2 in the C-Src Kinase Domain in Complex with Rao-IV-151


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of C-Src Kinase Domain in Complex with Rao-IV-151 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl600 b:0.9 occ:1.00 CL B:73A600 0.0 0.9 1.0 C8 B:73A600 1.7 93.9 1.0 C7 B:73A600 2.7 89.9 1.0 C9 B:73A600 2.7 89.4 1.0 CG2 B:THR338 3.6 76.9 1.0 CE B:MET314 3.8 79.2 1.0 SD B:MET314 3.9 83.9 1.0 C6 B:73A600 4.0 82.3 1.0 C10 B:73A600 4.0 80.3 1.0 OE1 B:GLU310 4.0 95.3 1.0 CD B:LYS295 4.2 0.7 1.0 CG2 B:ILE336 4.4 85.0 1.0 OE2 B:GLU310 4.5 94.8 1.0 C5 B:73A600 4.5 73.5 1.0 CB B:LYS295 4.6 0.5 1.0 CD B:GLU310 4.7 0.0 1.0 CB B:THR338 4.8 73.8 1.0 OG1 B:THR338 4.8 73.6 1.0

A.C.Register, D.J.Maly. A Chemical Genetic Method For Conformation-Selective Kinase Inhibition To Be Published.