Chlorine in PDB 7nzy: Crystal Structure of Human Casein Kinase I Delta in Complex with Cgs- 15943

All present enzymatic activity of Crystal Structure of Human Casein Kinase I Delta in Complex with Cgs- 15943:
2.7.11.1; 2.7.11.26;

The structure of Crystal Structure of Human Casein Kinase I Delta in Complex with Cgs- 15943, PDB code: 7nzy was solved by C.Pichlo, U.Baumann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.04 / 1.85
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	48.938, 82.081, 89.556, 87.1, 74.26, 86.33
R / Rfree (%)	20.5 / 22.9

The binding sites of Chlorine atom in the Crystal Structure of Human Casein Kinase I Delta in Complex with Cgs- 15943 (pdb code 7nzy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Human Casein Kinase I Delta in Complex with Cgs- 15943, PDB code: 7nzy:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Human Casein Kinase I Delta in Complex with Cgs- 15943


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 Human Casein Kinase I Delta in Complex with Cgs- 15943 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:36.7 occ:0.99 CL8 A:UX2301 0.0 36.7 1.0 C07 A:UX2301 1.8 28.7 1.0 C06 A:UX2301 2.7 24.6 1.0 C09 A:UX2301 2.7 27.8 1.0 OH A:TYR56 3.1 31.7 1.0 O A:HOH417 3.4 40.9 1.0 CZ A:TYR56 3.6 31.9 1.0 CE A:MET82 3.7 45.2 1.0 CG A:PRO66 3.9 35.2 1.0 C05 A:UX2301 4.0 23.8 1.0 CG A:MET82 4.0 34.6 1.0 C10 A:UX2301 4.0 26.6 1.0 CE2 A:TYR56 4.2 29.6 1.0 CE1 A:TYR56 4.2 32.0 1.0 CG2 A:ILE148 4.2 32.3 1.0 CB A:PRO66 4.3 36.0 1.0 CB A:ILE148 4.3 33.0 1.0 C04 A:UX2301 4.5 25.4 1.0 CB A:MET82 4.5 30.9 1.0 SD A:MET82 4.6 41.5 1.0 CE A:MET80 4.8 33.2 1.0 O A:HOH457 4.9 43.7 1.0 N A:ASP149 5.0 33.7 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Human Casein Kinase I Delta in Complex with Cgs- 15943


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 Human Casein Kinase I Delta in Complex with Cgs- 15943 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:36.7 occ:0.99 CL8 B:UX2301 0.0 36.7 1.0 C07 B:UX2301 1.8 31.3 1.0 C06 B:UX2301 2.7 25.9 1.0 C09 B:UX2301 2.7 30.3 1.0 OH B:TYR56 3.1 31.4 1.0 O B:HOH423 3.2 38.0 1.0 CZ B:TYR56 3.6 30.3 1.0 CE B:MET82 3.6 41.0 1.0 CG B:MET82 4.0 38.2 1.0 CG B:PRO66 4.0 33.7 1.0 C05 B:UX2301 4.0 24.9 1.0 C10 B:UX2301 4.0 28.3 1.0 CE2 B:TYR56 4.1 30.1 1.0 CE1 B:TYR56 4.3 30.1 1.0 CG2 B:ILE148 4.3 36.9 1.0 CB B:ILE148 4.4 37.2 1.0 CB B:PRO66 4.4 34.7 1.0 C04 B:UX2301 4.5 26.3 1.0 CB B:MET82 4.5 32.3 1.0 SD B:MET82 4.5 42.8 1.0 CE B:MET80 4.6 33.7 1.0 O B:HOH505 4.7 35.5 1.0 N B:ASP149 5.0 33.1 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Human Casein Kinase I Delta in Complex with Cgs- 15943


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human Casein Kinase I Delta in Complex with Cgs- 15943 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:44.8 occ:0.92 CL8 C:UX2301 0.0 44.8 0.9 C07 C:UX2301 1.8 37.1 0.9 C06 C:UX2301 2.7 34.2 0.9 C09 C:UX2301 2.8 32.5 0.9 OH C:TYR56 3.0 41.4 1.0 O C:HOH411 3.4 43.4 1.0 CZ C:TYR56 3.5 44.3 1.0 CE C:MET82 4.0 52.9 1.0 C05 C:UX2301 4.0 30.7 0.9 CG C:MET82 4.0 46.2 1.0 CE2 C:TYR56 4.1 45.2 1.0 CG C:PRO66 4.1 42.8 1.0 C10 C:UX2301 4.1 32.4 0.9 CE1 C:TYR56 4.2 43.4 1.0 CG2 C:ILE148 4.4 38.0 1.0 CB C:ILE148 4.4 36.6 1.0 C04 C:UX2301 4.6 31.7 0.9 CB C:PRO66 4.6 45.2 1.0 CB C:MET82 4.6 39.0 1.0 CE C:MET80 4.7 45.0 1.0 SD C:MET82 4.7 51.0 1.0 O C:HOH486 5.0 42.5 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Human Casein Kinase I Delta in Complex with Cgs- 15943


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human Casein Kinase I Delta in Complex with Cgs- 15943 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:49.8 occ:0.92 CL8 D:UX2301 0.0 49.8 0.9 C07 D:UX2301 1.8 43.0 0.9 C06 D:UX2301 2.7 40.0 0.9 C09 D:UX2301 2.8 39.1 0.9 OH D:TYR56 3.1 42.2 1.0 O D:HOH422 3.2 41.4 1.0 CZ D:TYR56 3.6 45.3 1.0 C05 D:UX2301 4.0 34.3 0.9 CG D:MET82 4.1 43.4 1.0 C10 D:UX2301 4.1 37.5 0.9 CE2 D:TYR56 4.1 47.0 1.0 CE D:MET82 4.2 49.2 1.0 CE1 D:TYR56 4.3 43.6 1.0 CG D:PRO66 4.3 44.9 1.0 CB D:ILE148 4.6 36.6 1.0 C04 D:UX2301 4.6 35.0 0.9 CG2 D:ILE148 4.6 38.2 1.0 CE D:MET80 4.6 46.3 1.0 CB D:MET82 4.7 36.5 1.0 O D:HOH494 4.7 44.1 1.0 SD D:MET82 4.8 49.4 1.0 CB D:PRO66 4.9 43.6 1.0

D.Schade, C.Pichlo, U.Baumann. Triazolo[1,5-C]Chinazolines As Selective Bmp Signaling Amplifiers By Combined Targeting of Specific PI3K and CK1 Isoforms To Be Published.