Chlorine in PDB 4bbm: Crystal Structure of the Human CDKL2 Kinase Domain with Bound Tcs 2312

All present enzymatic activity of Crystal Structure of the Human CDKL2 Kinase Domain with Bound Tcs 2312:
2.7.11.22;

The structure of Crystal Structure of the Human CDKL2 Kinase Domain with Bound Tcs 2312, PDB code: 4bbm was solved by P.Canning, J.M.Elkins, C.D.O.Cooper, P.Mahajan, N.Daga, G.Berridge, N.Burgess-Brown, J.R.C.Muniz, T.Krojer, C.H.Arrowsmith, A.M.Edwards, C.Bountra, F.Von Delft, A.Bullock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.39 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	31.583, 68.047, 82.343, 71.53, 89.92, 88.97
R / Rfree (%)	24.3 / 26.9

The binding sites of Chlorine atom in the Crystal Structure of the Human CDKL2 Kinase Domain with Bound Tcs 2312 (pdb code 4bbm). 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 the Human CDKL2 Kinase Domain with Bound Tcs 2312, PDB code: 4bbm:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Human CDKL2 Kinase Domain with Bound Tcs 2312


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 the Human CDKL2 Kinase Domain with Bound Tcs 2312 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:38.0 occ:1.00 N A:ASP84 3.5 21.8 1.0 O A:HOH2015 3.7 29.1 1.0 CB A:ASP84 3.8 22.4 1.0 N A:GLN136 3.9 19.6 1.0 CA A:SER135 4.1 17.7 1.0 CA A:ASP84 4.1 22.5 1.0 CB A:SER135 4.1 17.7 1.0 CA A:VAL83 4.3 21.6 1.0 C A:VAL83 4.4 21.9 1.0 O A:PHE82 4.4 25.1 1.0 C A:SER135 4.5 18.4 1.0 CB A:GLN136 4.6 22.2 1.0 CG A:GLN136 4.7 23.4 1.0 CG1 A:VAL83 4.8 19.4 1.0 CA A:GLN136 4.9 20.6 1.0 CG A:ASP84 5.0 23.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Human CDKL2 Kinase Domain with Bound Tcs 2312


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 the Human CDKL2 Kinase Domain with Bound Tcs 2312 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:48.1 occ:1.00 O B:HOH2009 3.4 40.6 1.0 O B:HOH2028 3.5 31.0 1.0 N B:ASP84 3.7 22.9 1.0 CB B:ASP84 3.8 23.8 1.0 N B:GLN136 3.9 22.5 1.0 CA B:ASP84 4.2 23.8 1.0 CA B:SER135 4.3 19.9 1.0 CB B:SER135 4.4 19.9 1.0 CB B:GLN136 4.4 25.7 1.0 CG B:GLN136 4.5 27.2 1.0 O B:PHE82 4.5 25.7 1.0 C B:VAL83 4.6 23.1 1.0 CA B:VAL83 4.6 22.7 1.0 C B:SER135 4.6 20.8 1.0 CD B:GLN136 4.8 29.3 1.0 CA B:GLN136 4.8 23.7 1.0 CG B:ASP84 4.9 25.2 1.0 OD1 B:ASP84 5.0 26.9 1.0

P.Canning, J.M.Elkins, C.D.O.Cooper, P.Mahajan, N.Daga, G.Berridge, N.Burgess-Brown, J.R.C.Muniz, T.Krojer, C.H.Arrowsmith, A.M.Edwards, C.Bountra, F.Von Delft, A.Bullock. Crystal Structure of the Human CDKL2 Kinase Domain with Bound Tcs 2312 To Be Published.