Chlorine in PDB 6r6e: Crystal Structure of Di-Phosphorylated Human CLK1 in Complex with 5- (6,7-Dichloro-1-Methyl-1H-Indol-3-Yl)Pyrimidin-4-Amine

All present enzymatic activity of Crystal Structure of Di-Phosphorylated Human CLK1 in Complex with 5- (6,7-Dichloro-1-Methyl-1H-Indol-3-Yl)Pyrimidin-4-Amine:
2.7.12.1;

The structure of Crystal Structure of Di-Phosphorylated Human CLK1 in Complex with 5- (6,7-Dichloro-1-Methyl-1H-Indol-3-Yl)Pyrimidin-4-Amine, PDB code: 6r6e 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)	57.49 / 2.25
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	67.710, 67.710, 283.920, 90.00, 90.00, 120.00
R / Rfree (%)	20.6 / 25.8

The binding sites of Chlorine atom in the Crystal Structure of Di-Phosphorylated Human CLK1 in Complex with 5- (6,7-Dichloro-1-Methyl-1H-Indol-3-Yl)Pyrimidin-4-Amine (pdb code 6r6e). 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 Di-Phosphorylated Human CLK1 in Complex with 5- (6,7-Dichloro-1-Methyl-1H-Indol-3-Yl)Pyrimidin-4-Amine, PDB code: 6r6e:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Di-Phosphorylated Human CLK1 in Complex with 5- (6,7-Dichloro-1-Methyl-1H-Indol-3-Yl)Pyrimidin-4-Amine


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 Di-Phosphorylated Human CLK1 in Complex with 5- (6,7-Dichloro-1-Methyl-1H-Indol-3-Yl)Pyrimidin-4-Amine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:63.5 occ:1.00 CL1 A:JTQ901 0.0 63.5 1.0 CAD A:JTQ901 1.9 58.0 1.0 CAC A:JTQ901 2.8 57.9 1.0 CAE A:JTQ901 2.9 63.0 1.0 CL2 A:JTQ901 3.1 58.3 1.0 NAG A:JTQ901 3.5 72.2 1.0 CAP A:JTQ901 3.5 74.5 1.0 CD1 A:LEU167 3.8 45.9 1.0 CD2 A:LEU295 3.9 37.6 1.0 CB A:ALA189 4.0 40.1 1.0 N A:LEU244 4.1 41.3 1.0 CAB A:JTQ901 4.1 58.0 1.0 CAF A:JTQ901 4.2 58.8 1.0 O A:LEU244 4.2 49.5 1.0 CB A:LEU244 4.2 47.6 1.0 CA A:LEU244 4.5 44.8 1.0 CG1 A:VAL175 4.5 47.2 1.0 C A:LEU244 4.5 43.2 1.0 CD1 A:LEU243 4.5 48.0 1.0 CAA A:JTQ901 4.6 60.8 1.0 O A:GLY245 4.6 49.6 1.0 CAH A:JTQ901 4.8 70.2 1.0 CB A:LEU167 4.9 52.1 1.0 CG A:LEU167 5.0 49.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Di-Phosphorylated Human CLK1 in Complex with 5- (6,7-Dichloro-1-Methyl-1H-Indol-3-Yl)Pyrimidin-4-Amine


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 Di-Phosphorylated Human CLK1 in Complex with 5- (6,7-Dichloro-1-Methyl-1H-Indol-3-Yl)Pyrimidin-4-Amine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:58.3 occ:1.00 CL2 A:JTQ901 0.0 58.3 1.0 CAC A:JTQ901 1.7 57.9 1.0 CAB A:JTQ901 2.7 58.0 1.0 CAD A:JTQ901 2.7 58.0 1.0 O A:GLU242 3.0 40.0 1.0 CL1 A:JTQ901 3.1 63.5 1.0 CB A:PHE241 3.6 35.2 1.0 CB A:ALA189 3.7 40.1 1.0 CG A:LEU244 3.9 46.5 1.0 CAA A:JTQ901 3.9 60.8 1.0 CAE A:JTQ901 4.0 63.0 1.0 N A:LEU244 4.0 41.3 1.0 CD1 A:LEU244 4.1 46.8 1.0 CB A:LEU244 4.1 47.6 1.0 CG A:PHE241 4.3 35.8 1.0 C A:GLU242 4.3 42.6 1.0 CG2 A:VAL225 4.3 43.1 1.0 CAF A:JTQ901 4.4 58.8 1.0 CD2 A:PHE241 4.5 38.2 1.0 CA A:LEU244 4.7 44.8 1.0 CA A:LEU243 4.7 43.5 1.0 C A:PHE241 4.8 36.7 1.0 C A:LEU243 4.8 42.4 1.0 CD2 A:LEU295 4.8 37.6 1.0 CA A:PHE241 4.9 34.5 1.0 N A:GLU242 4.9 39.8 1.0

O.Livnah, Y.Domovich. Crystal Structure of Di-Phosphorylated Human CLK1 in Complex with 5-(6,7-Dichloro-1-Methyl-1H-Indol-3-Yl) Pyrimidin-4-Amine To Be Published.