Chlorine in PDB 4dgg: C-Src Kinase Domain in Complex with Rm-1-176

All present enzymatic activity of C-Src Kinase Domain in Complex with Rm-1-176:
2.7.10.2;

The structure of C-Src Kinase Domain in Complex with Rm-1-176, PDB code: 4dgg was solved by E.A.Merritt, E.T.Larson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.55 / 2.65
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	42.170, 63.480, 74.000, 78.73, 88.48, 89.93
R / Rfree (%)	20.8 / 25.2

The binding sites of Chlorine atom in the C-Src Kinase Domain in Complex with Rm-1-176 (pdb code 4dgg). 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 Rm-1-176, PDB code: 4dgg:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the C-Src Kinase Domain in Complex with Rm-1-176


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 Rm-1-176 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:81.7 occ:1.00 CLD A:I76601 0.0 81.7 1.0 CAU A:I76601 1.7 69.9 1.0 CAM A:I76601 2.7 67.1 1.0 CAF A:I76601 2.7 68.8 1.0 CA A:ALA311 3.5 69.7 1.0 CB A:ALA311 3.7 69.8 1.0 CAV A:I76601 4.0 66.1 1.0 CAE A:I76601 4.0 67.8 1.0 CG2 A:ILE336 4.3 29.4 1.0 CB A:MET314 4.3 56.2 1.0 O A:ALA311 4.3 69.4 1.0 N A:ALA311 4.4 73.5 1.0 CD1 A:LEU325 4.4 30.8 1.0 CE1 A:PHE307 4.4 77.0 1.0 C A:ALA311 4.5 69.6 1.0 O A:GLU310 4.5 70.4 1.0 CAG A:I76601 4.5 67.3 1.0 CG1 A:ILE336 4.6 30.8 1.0 SD A:MET314 4.6 55.0 1.0 CZ A:PHE307 4.7 77.0 1.0 C A:GLU310 4.8 75.2 1.0 CG1 A:VAL328 5.0 33.8 1.0

Chlorine binding site 2 out of 2 in the C-Src Kinase Domain in Complex with Rm-1-176


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 Rm-1-176 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:0.5 occ:1.00 CLD B:I76601 0.0 0.5 1.0 CAU B:I76601 1.7 93.4 1.0 CAM B:I76601 2.7 86.4 1.0 CAF B:I76601 2.7 90.7 1.0 CA B:ALA311 3.7 61.0 1.0 CAV B:I76601 4.0 79.3 1.0 CAE B:I76601 4.0 87.3 1.0 CB B:ALA311 4.1 62.1 1.0 O B:GLU310 4.1 63.4 1.0 N B:ALA311 4.1 63.5 1.0 C B:GLU310 4.3 64.5 1.0 CAG B:I76601 4.5 81.7 1.0 CG1 B:ILE336 4.5 37.5 1.0 CD1 B:LEU407 4.7 69.9 1.0 C B:ALA311 4.8 59.6 1.0 O B:PHE307 4.8 69.7 1.0 O B:ALA311 4.9 57.6 1.0 CB B:MET314 5.0 54.6 1.0 CD1 B:ILE336 5.0 38.3 1.0

R.Krishnamurty, J.L.Brigham, S.E.Leonard, P.Ranjitkar, E.T.Larson, E.J.Dale, E.A.Merritt, D.J.Maly. Active Site Profiling Reveals Coupling Between Domains in Src-Family Kinases. Nat.Chem.Biol. V. 9 43 2013.
ISSN: ISSN 1552-4450
PubMed: 23143416
DOI: 10.1038/NCHEMBIO.1118