Chlorine in PDB 6qty: Non-Phosphorylated Human CLK1 in Complex with An Indole Inhibitor to 1.65 Ang

All present enzymatic activity of Non-Phosphorylated Human CLK1 in Complex with An Indole Inhibitor to 1.65 Ang:
2.7.12.1;

The structure of Non-Phosphorylated Human CLK1 in Complex with An Indole Inhibitor to 1.65 Ang, PDB code: 6qty was solved by O.Livnah, Y.Domovich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.55 / 1.65
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.764, 68.764, 285.004, 90.00, 90.00, 120.00
R / Rfree (%)	13.5 / 20.3

The binding sites of Chlorine atom in the Non-Phosphorylated Human CLK1 in Complex with An Indole Inhibitor to 1.65 Ang (pdb code 6qty). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Non-Phosphorylated Human CLK1 in Complex with An Indole Inhibitor to 1.65 Ang, PDB code: 6qty:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Non-Phosphorylated Human CLK1 in Complex with An Indole Inhibitor to 1.65 Ang


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Non-Phosphorylated Human CLK1 in Complex with An Indole Inhibitor to 1.65 Ang within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:25.5 occ:1.00 CL1 A:V25501 0.0 25.5 1.0 CAQ A:V25501 1.8 10.2 1.0 CAP A:V25501 2.8 10.0 1.0 CAU A:V25501 2.8 11.0 1.0 CL2 A:V25501 3.1 12.8 1.0 CAB A:V25501 3.1 18.4 1.0 NAV A:V25501 3.3 12.3 1.0 CB A:ALA189 3.8 10.8 1.0 CD1 A:LEU167 3.9 13.8 1.0 CD2 A:LEU295 3.9 10.7 1.0 CAJ A:V25501 4.0 10.8 1.0 CAT A:V25501 4.1 9.9 1.0 O A:LEU244 4.2 17.3 1.0 N A:LEU244 4.2 11.5 1.0 CG1 A:VAL175 4.3 10.6 1.0 CB A:LEU244 4.4 12.1 1.0 CD1 A:LEU243 4.5 17.0 1.0 CAK A:V25501 4.6 10.7 1.0 CAS A:V25501 4.6 10.6 1.0 C A:LEU244 4.7 14.1 1.0 CA A:LEU244 4.7 12.0 1.0

Chlorine binding site 2 out of 2 in the Non-Phosphorylated Human CLK1 in Complex with An Indole Inhibitor to 1.65 Ang


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Non-Phosphorylated Human CLK1 in Complex with An Indole Inhibitor to 1.65 Ang within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:12.8 occ:1.00 CL2 A:V25501 0.0 12.8 1.0 CAP A:V25501 1.7 10.0 1.0 CAQ A:V25501 2.7 10.2 1.0 CAJ A:V25501 2.7 10.8 1.0 O A:GLU242 2.8 12.1 1.0 CL1 A:V25501 3.1 25.5 1.0 CB A:PHE241 3.5 10.3 1.0 CB A:ALA189 3.7 10.8 1.0 CG A:LEU244 3.8 13.1 1.0 CD1 A:LEU244 3.8 14.4 1.0 N A:LEU244 3.9 11.5 1.0 CAK A:V25501 4.0 10.7 1.0 CB A:LEU244 4.0 12.1 1.0 C A:GLU242 4.1 10.5 1.0 CAU A:V25501 4.1 11.0 1.0 CG2 A:VAL225 4.1 15.0 1.0 CG A:PHE241 4.2 9.6 1.0 CD2 A:PHE241 4.4 10.8 1.0 CA A:LEU243 4.5 10.8 1.0 CAT A:V25501 4.5 9.9 1.0 C A:LEU243 4.6 10.7 1.0 CA A:LEU244 4.6 12.0 1.0 C A:PHE241 4.8 10.3 1.0 N A:LEU243 4.8 11.5 1.0 CA A:PHE241 4.8 9.4 1.0 CD2 A:LEU295 4.8 10.7 1.0 N A:GLU242 5.0 9.9 1.0 O A:PHE241 5.0 9.6 1.0

O.Livnah, Y.Domovich. Non-Phosphorylated Human CLK1 in Complex with An Indole Inhibitor to 1.65 Ang To Be Published.