Chlorine in PDB 6r3d: Crystal Structure of Di-Phosphorylated Human CLK1 in Complex with 4- (6,7-Dichloro-1H-Indol-3-Yl)Pyrimidin-2-Amine

All present enzymatic activity of Crystal Structure of Di-Phosphorylated Human CLK1 in Complex with 4- (6,7-Dichloro-1H-Indol-3-Yl)Pyrimidin-2-Amine:
2.7.12.1;

The structure of Crystal Structure of Di-Phosphorylated Human CLK1 in Complex with 4- (6,7-Dichloro-1H-Indol-3-Yl)Pyrimidin-2-Amine, PDB code: 6r3d 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)	47.52 / 1.85
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.622, 68.622, 285.132, 90.00, 90.00, 120.00
R / Rfree (%)	22.1 / 26.5

The binding sites of Chlorine atom in the Crystal Structure of Di-Phosphorylated Human CLK1 in Complex with 4- (6,7-Dichloro-1H-Indol-3-Yl)Pyrimidin-2-Amine (pdb code 6r3d). 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 4- (6,7-Dichloro-1H-Indol-3-Yl)Pyrimidin-2-Amine, PDB code: 6r3d:
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 4- (6,7-Dichloro-1H-Indol-3-Yl)Pyrimidin-2-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 4- (6,7-Dichloro-1H-Indol-3-Yl)Pyrimidin-2-Amine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:59.1 occ:1.00 CL1 A:JQW901 0.0 59.1 1.0 CAD A:JQW901 1.9 51.4 1.0 CAE A:JQW901 2.8 48.4 1.0 CAC A:JQW901 2.9 57.2 1.0 NAG A:JQW901 3.1 50.5 1.0 CL2 A:JQW901 3.2 65.8 1.0 CB A:ASP325 3.6 35.2 1.0 NZ A:LYS191 3.6 53.1 1.0 CG A:ASP325 3.8 39.8 1.0 CE2 A:PHE172 3.8 68.5 1.0 CZ A:PHE172 3.9 63.8 1.0 OD2 A:ASP325 4.1 47.6 1.0 OD1 A:ASP325 4.1 46.0 1.0 CAF A:JQW901 4.2 42.1 1.0 CAB A:JQW901 4.3 51.3 1.0 CA A:ASP325 4.3 35.3 1.0 OD1 A:ASN293 4.4 43.3 1.0 CAH A:JQW901 4.4 46.2 1.0 CE A:LYS191 4.5 51.1 1.0 CD A:LYS191 4.5 48.9 1.0 CG2 A:VAL175 4.6 43.0 1.0 N A:ASP325 4.7 34.2 1.0 CG2 A:VAL324 4.7 37.6 1.0 CAA A:JQW901 4.7 48.8 1.0 CD2 A:PHE172 4.8 62.4 1.0 CE1 A:PHE172 4.9 55.8 1.0 CAI A:JQW901 4.9 42.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Di-Phosphorylated Human CLK1 in Complex with 4- (6,7-Dichloro-1H-Indol-3-Yl)Pyrimidin-2-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 4- (6,7-Dichloro-1H-Indol-3-Yl)Pyrimidin-2-Amine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:65.8 occ:1.00 CL2 A:JQW901 0.0 65.8 1.0 CAC A:JQW901 1.6 57.2 1.0 CAD A:JQW901 2.6 51.4 1.0 CAB A:JQW901 2.7 51.3 1.0 CL1 A:JQW901 3.2 59.1 1.0 CAE A:JQW901 3.8 48.4 1.0 CAA A:JQW901 3.9 48.8 1.0 CZ A:PHE172 4.1 63.8 1.0 CE2 A:PHE172 4.2 68.5 1.0 N A:GLU169 4.3 54.8 1.0 O A:GLU169 4.3 63.8 1.0 CAF A:JQW901 4.3 42.1 1.0 CA A:GLY168 4.6 50.3 1.0 CG2 A:VAL175 4.6 43.0 1.0 C A:GLY168 4.7 52.4 1.0 OD1 A:ASN293 4.8 43.3 1.0 C A:GLU169 4.9 63.1 1.0 NAG A:JQW901 4.9 50.5 1.0

O.Livnah, Y.Domovich. Crystal Structure of Di-Phosphorylated Human CLK1 in Complex with 4-(1-Methyl-1H-Indol-3-Yl)Pyrimidin-2-Amine To Be Published.