Chlorine in PDB 3geq: Structural Basis For the Chemical Rescue of Src Kinase Activity

All present enzymatic activity of Structural Basis For the Chemical Rescue of Src Kinase Activity:
2.7.10.2;

The structure of Structural Basis For the Chemical Rescue of Src Kinase Activity, PDB code: 3geq was solved by K.E.Muratore, M.A.Seeliger, Z.Wang, D.Fomina, J.Neiswinger, J.J.Havranek, D.Baker, J.Kuriyan, P.A.Cole, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.649, 63.462, 83.860, 90.00, 91.45, 90.00
R / Rfree (%)	22.6 / 27.3

The binding sites of Chlorine atom in the Structural Basis For the Chemical Rescue of Src Kinase Activity (pdb code 3geq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structural Basis For the Chemical Rescue of Src Kinase Activity, PDB code: 3geq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structural Basis For the Chemical Rescue of Src Kinase Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Basis For the Chemical Rescue of Src Kinase Activity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:34.7 occ:1.00 CL A:PP21 0.0 34.7 1.0 C14 A:PP21 1.7 41.3 1.0 C13 A:PP21 2.7 39.9 1.0 C15 A:PP21 2.8 42.2 1.0 SD A:MET314 3.6 57.5 1.0 CG2 A:ILE336 3.8 52.1 1.0 CG2 A:THR338 3.8 42.6 1.0 OE2 A:GLU310 3.9 80.7 1.0 CD A:LYS295 4.0 61.6 1.0 CE A:MET314 4.0 56.1 1.0 C12 A:PP21 4.0 40.8 1.0 C16 A:PP21 4.1 41.5 1.0 CD A:GLU310 4.1 80.4 1.0 CB A:LYS295 4.3 60.9 1.0 OE1 A:GLU310 4.3 80.0 1.0 CB A:ILE336 4.5 51.8 1.0 C11 A:PP21 4.6 41.7 1.0 CG A:GLU310 4.6 79.9 1.0 CG A:LYS295 4.8 60.9 1.0 CD1 A:ILE336 4.9 51.7 1.0 OG1 A:THR338 5.0 39.3 1.0

Chlorine binding site 2 out of 2 in the Structural Basis For the Chemical Rescue of Src Kinase Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural Basis For the Chemical Rescue of Src Kinase Activity within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2 b:31.4 occ:1.00 CL B:PP22 0.0 31.4 1.0 C14 B:PP22 1.7 38.5 1.0 C13 B:PP22 2.7 35.9 1.0 C15 B:PP22 2.7 39.2 1.0 SD B:MET314 3.5 50.5 1.0 CG2 B:THR338 3.8 36.6 1.0 CG2 B:ILE336 3.9 49.0 1.0 C12 B:PP22 4.0 38.1 1.0 OE2 B:GLU310 4.1 82.5 1.0 C16 B:PP22 4.1 39.2 1.0 CD B:GLU310 4.1 82.0 1.0 CE B:MET314 4.1 49.5 1.0 CD B:LYS295 4.2 61.6 1.0 CB B:LYS295 4.3 58.7 1.0 OE1 B:GLU310 4.4 82.2 1.0 CB B:ILE336 4.5 49.6 1.0 CG B:GLU310 4.5 80.6 1.0 C11 B:PP22 4.6 36.9 1.0 O B:ILE336 4.8 49.8 1.0 CG B:LYS295 4.9 59.3 1.0 CD1 B:ILE336 5.0 49.9 1.0 OG1 B:THR338 5.0 36.4 1.0 CB B:THR338 5.0 38.3 1.0

K.E.Muratore, M.A.Seeliger, Z.Wang, D.Fomina, J.Neiswinger, J.J.Havranek, D.Baker, J.Kuriyan, P.A.Cole. Comparative Analysis of Mutant Tyrosine Kinase Chemical Rescue. Biochemistry V. 48 3378 2009.
ISSN: ISSN 0006-2960
PubMed: 19260709
DOI: 10.1021/BI900057G