Chlorine in PDB 5swh: C-Src V281C Kinase Domain in Complex with Rao-IV-151

All present enzymatic activity of C-Src V281C Kinase Domain in Complex with Rao-IV-151:
2.7.10.2;

The structure of C-Src V281C Kinase Domain in Complex with Rao-IV-151, PDB code: 5swh was solved by E.A.Merritt, E.M.Dieter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	73.25 / 2.50
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	41.819, 64.139, 74.910, 77.94, 89.50, 89.83
R / Rfree (%)	24.1 / 28.7

The binding sites of Chlorine atom in the C-Src V281C Kinase Domain in Complex with Rao-IV-151 (pdb code 5swh). 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 V281C Kinase Domain in Complex with Rao-IV-151, PDB code: 5swh:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the C-Src V281C 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 V281C Kinase Domain in Complex with Rao-IV-151 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl600 b:83.4 occ:1.00 CL A:71D600 0.0 83.4 1.0 C8 A:71D600 1.7 68.5 1.0 C9 A:71D600 2.7 70.7 1.0 C7 A:71D600 2.7 66.1 1.0 CG2 A:THR338 3.6 47.3 1.0 SD A:MET314 3.9 87.5 1.0 C10 A:71D600 4.0 68.6 1.0 C6 A:71D600 4.0 59.9 1.0 CG2 A:ILE336 4.0 90.3 1.0 CD A:LYS295 4.0 61.1 1.0 CB A:LYS295 4.5 62.4 1.0 C5 A:71D600 4.5 58.3 1.0 CB A:ILE336 4.5 88.1 1.0 CE A:MET314 4.5 89.0 1.0 NZ A:LYS295 4.9 63.8 1.0 CG A:LYS295 4.9 59.7 1.0 CB A:THR338 4.9 49.0 1.0 CD1 A:ILE336 4.9 90.9 1.0

Chlorine binding site 2 out of 2 in the C-Src V281C 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 V281C Kinase Domain in Complex with Rao-IV-151 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl600 b:66.6 occ:1.00 CL B:71D600 0.0 66.6 1.0 C8 B:71D600 1.7 66.6 1.0 C9 B:71D600 2.7 65.3 1.0 C7 B:71D600 2.7 65.6 1.0 CE B:MET314 3.2 58.6 1.0 CG2 B:THR338 3.7 52.2 1.0 SD B:MET314 3.8 60.5 1.0 CG2 B:ILE336 3.9 75.4 1.0 CD B:LYS295 3.9 93.2 1.0 C10 B:71D600 4.0 65.9 1.0 C6 B:71D600 4.0 67.1 1.0 CB B:ILE336 4.4 74.8 1.0 CB B:LYS295 4.4 84.7 1.0 C5 B:71D600 4.5 67.8 1.0 OE1 B:GLU310 4.6 78.6 1.0 NZ B:LYS295 4.7 99.0 1.0 CD1 B:ILE336 4.8 79.3 1.0 CG B:LYS295 4.8 88.8 1.0 CE B:LYS295 4.9 100.0 1.0

A.C.Register, D.J.Maly. A Combined Approach Reveals A Regulatory Mechanism Coupling Src'S Kinase Activity, Localization, and Phosphotransferase-Independent Functions Mol.Cell 2019.
ISSN: ISSN 1097-2765