Chlorine in PDB 6tw2: Re-Refined Crystal Structure of Di-Phosphorylated Human CLK1 in Complex with A Novel Substituted Indole Inhibitor

All present enzymatic activity of Re-Refined Crystal Structure of Di-Phosphorylated Human CLK1 in Complex with A Novel Substituted Indole Inhibitor:
2.7.12.1;

The structure of Re-Refined Crystal Structure of Di-Phosphorylated Human CLK1 in Complex with A Novel Substituted Indole Inhibitor, PDB code: 6tw2 was solved by B.Loll, T.Haltenhof, F.Heyd, M.C.Wahl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.27 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.950, 64.108, 78.894, 90.00, 118.17, 90.00
R / Rfree (%)	18.1 / 22.3

The binding sites of Chlorine atom in the Re-Refined Crystal Structure of Di-Phosphorylated Human CLK1 in Complex with A Novel Substituted Indole Inhibitor (pdb code 6tw2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Re-Refined Crystal Structure of Di-Phosphorylated Human CLK1 in Complex with A Novel Substituted Indole Inhibitor, PDB code: 6tw2:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Re-Refined Crystal Structure of Di-Phosphorylated Human CLK1 in Complex with A Novel Substituted Indole Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Re-Refined Crystal Structure of Di-Phosphorylated Human CLK1 in Complex with A Novel Substituted Indole Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl2301 b:45.5 occ:1.00 CL1 E:V252301 0.0 45.5 1.0 CAQ E:V252301 1.8 21.5 1.0 CAP E:V252301 2.7 23.5 1.0 CAU E:V252301 2.8 22.3 1.0 CL2 E:V252301 3.0 26.2 1.0 CAB E:V252301 3.2 28.8 1.0 NAV E:V252301 3.4 24.1 1.0 CB E:ALA189 3.6 23.1 1.0 CD1 E:LEU167 3.7 28.3 1.0 O E:LEU244 3.8 41.3 1.0 CD2 E:LEU295 4.0 23.6 1.0 N E:LEU244 4.0 28.0 1.0 CAJ E:V252301 4.0 25.7 1.0 CAT E:V252301 4.1 15.1 1.0 CG1 E:VAL175 4.2 24.5 1.0 CB E:LEU244 4.3 28.6 1.0 C E:LEU244 4.3 38.1 1.0 CA E:LEU244 4.4 33.8 1.0 CD1 E:LEU243 4.5 35.1 1.0 CAK E:V252301 4.5 18.1 1.0 CAS E:V252301 4.7 19.8 1.0 CB E:LEU167 4.8 23.8 1.0 CG E:LEU167 4.8 24.7 1.0 O E:GLY245 4.8 32.3 1.0

Chlorine binding site 2 out of 2 in the Re-Refined Crystal Structure of Di-Phosphorylated Human CLK1 in Complex with A Novel Substituted Indole Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Re-Refined Crystal Structure of Di-Phosphorylated Human CLK1 in Complex with A Novel Substituted Indole Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl2301 b:26.2 occ:1.00 CL2 E:V252301 0.0 26.2 1.0 CAP E:V252301 1.8 23.5 1.0 CAQ E:V252301 2.7 21.5 1.0 CAJ E:V252301 2.7 25.7 1.0 O E:GLU242 2.9 32.9 0.5 O E:GLU242 3.0 33.0 0.5 CL1 E:V252301 3.0 45.5 1.0 CB E:PHE241 3.5 25.9 1.0 CB E:ALA189 3.5 23.1 1.0 N E:LEU244 3.7 28.0 1.0 CG E:LEU244 3.7 28.3 1.0 CD1 E:LEU244 3.9 22.9 1.0 CB E:LEU244 3.9 28.6 1.0 CAK E:V252301 4.0 18.1 1.0 CG2 E:VAL225 4.0 45.7 1.0 CAU E:V252301 4.0 22.3 1.0 C E:GLU242 4.1 31.7 0.5 C E:GLU242 4.1 31.5 0.5 CG E:PHE241 4.2 26.1 1.0 C E:LEU243 4.3 28.7 1.0 CA E:LEU244 4.4 33.8 1.0 CA E:LEU243 4.4 25.7 1.0 CD2 E:PHE241 4.5 27.9 1.0 CAT E:V252301 4.5 15.1 1.0 CD2 E:LEU295 4.7 23.6 1.0 C E:PHE241 4.8 27.6 1.0 N E:LEU243 4.8 25.6 1.0 CA E:PHE241 4.8 22.7 1.0 O E:PHE241 4.9 25.4 1.0 CA E:ALA189 4.9 23.9 1.0

T.Haltenhof, A.Kote, F.De Bortoli, S.Schiefer, S.Meinike, K.Emmerichs, K.K.Petermann, B.Timmermann, P.Imhof, A.Franz, B.Loll, M.C.Wahl, M.Preussner, F.Heyd. A Conserved Kinase-Based Body Temperature Sensor Globally Controls Alternative Splicing and Gene Expression To Be Published.