Chlorine in PDB 8bem: STE20-Like Serine/Threonine-Protein Kinase (Slk) in Complex with Tivozanib

All present enzymatic activity of STE20-Like Serine/Threonine-Protein Kinase (Slk) in Complex with Tivozanib:
2.7.11.1;

The structure of STE20-Like Serine/Threonine-Protein Kinase (Slk) in Complex with Tivozanib, PDB code: 8bem was solved by A.Kraemer, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.73 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.012, 107.28, 129.4, 90, 95.32, 90
R / Rfree (%)	22.2 / 25.5

The binding sites of Chlorine atom in the STE20-Like Serine/Threonine-Protein Kinase (Slk) in Complex with Tivozanib (pdb code 8bem). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the STE20-Like Serine/Threonine-Protein Kinase (Slk) in Complex with Tivozanib, PDB code: 8bem:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the STE20-Like Serine/Threonine-Protein Kinase (Slk) in Complex with Tivozanib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of STE20-Like Serine/Threonine-Protein Kinase (Slk) in Complex with Tivozanib within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:67.6 occ:1.00 CL4 A:AV9401 0.0 67.6 1.0 C11 A:AV9401 1.7 49.4 1.0 C13 A:AV9401 2.7 50.1 1.0 C15 A:AV9401 2.7 46.3 1.0 N28 A:AV9401 3.0 51.2 1.0 CB A:LYS63 3.7 58.3 1.0 CG1 A:ILE108 3.9 53.3 1.0 CD1 A:ILE108 3.9 56.0 1.0 C12 A:AV9401 4.0 48.8 1.0 O A:ILE106 4.0 58.3 1.0 C16 A:AV9401 4.0 45.5 1.0 CG2 A:ILE108 4.1 52.4 1.0 N21 A:AV9401 4.2 69.7 1.0 CD A:LYS63 4.2 55.2 1.0 CG2 A:ILE106 4.3 54.1 1.0 N A:LYS63 4.3 60.9 1.0 C35 A:AV9401 4.3 53.6 1.0 O A:ALA61 4.4 49.9 1.0 CB A:ILE106 4.4 55.7 1.0 C17 A:AV9401 4.5 45.8 1.0 CG A:LYS63 4.5 60.2 1.0 CB A:ILE108 4.6 51.6 1.0 CA A:LYS63 4.7 61.3 1.0 C A:ILE106 4.7 57.4 1.0 C A:ALA62 4.7 60.8 1.0 C38 A:AV9401 4.7 73.1 1.0 C A:ALA61 4.8 54.7 1.0 N37 A:AV9401 4.9 62.6 1.0

Chlorine binding site 2 out of 4 in the STE20-Like Serine/Threonine-Protein Kinase (Slk) in Complex with Tivozanib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of STE20-Like Serine/Threonine-Protein Kinase (Slk) in Complex with Tivozanib within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:75.5 occ:1.00 CL4 B:AV9401 0.0 75.5 1.0 C11 B:AV9401 1.7 57.2 1.0 C13 B:AV9401 2.7 58.6 1.0 C15 B:AV9401 2.8 54.6 1.0 N28 B:AV9401 3.1 58.1 1.0 N21 B:AV9401 3.8 75.0 1.0 CG1 B:ILE108 3.8 49.0 1.0 CB B:LYS63 3.8 68.8 1.0 CD1 B:ILE108 3.9 51.2 1.0 C12 B:AV9401 4.0 60.2 1.0 C16 B:AV9401 4.0 62.2 1.0 O B:ILE106 4.0 52.1 1.0 CG2 B:ILE108 4.1 47.9 1.0 C35 B:AV9401 4.2 57.0 1.0 CD B:LYS63 4.2 70.2 1.0 N B:LYS63 4.3 67.0 1.0 CG2 B:ILE106 4.3 49.0 1.0 O B:ALA61 4.4 57.0 1.0 CB B:ILE106 4.5 52.3 1.0 C17 B:AV9401 4.5 61.1 1.0 CB B:ILE108 4.6 47.8 1.0 CG B:LYS63 4.6 69.9 1.0 C38 B:AV9401 4.7 80.0 1.0 C B:ALA62 4.7 65.7 1.0 CA B:LYS63 4.7 68.4 1.0 C B:ILE106 4.8 53.0 1.0 C B:ALA61 4.8 60.7 1.0 O36 B:AV9401 4.9 66.8 1.0 N37 B:AV9401 4.9 66.2 1.0 O25 B:AV9401 4.9 72.0 1.0

Chlorine binding site 3 out of 4 in the STE20-Like Serine/Threonine-Protein Kinase (Slk) in Complex with Tivozanib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of STE20-Like Serine/Threonine-Protein Kinase (Slk) in Complex with Tivozanib within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl401 b:57.7 occ:1.00 CL4 D:AV9401 0.0 57.7 1.0 C11 D:AV9401 1.7 44.8 1.0 C13 D:AV9401 2.7 45.5 1.0 C15 D:AV9401 2.7 45.5 1.0 N28 D:AV9401 3.0 42.0 1.0 CB D:LYS63 3.6 57.6 1.0 N21 D:AV9401 3.8 50.0 1.0 O D:ILE106 3.8 47.9 1.0 CG1 D:ILE108 4.0 58.4 1.0 C12 D:AV9401 4.0 42.1 1.0 C16 D:AV9401 4.0 48.7 1.0 CD1 D:ILE108 4.0 65.5 1.0 CG2 D:ILE108 4.1 54.6 1.0 CG2 D:ILE106 4.1 44.8 1.0 C35 D:AV9401 4.2 43.4 1.0 CD D:LYS63 4.2 65.4 1.0 N D:LYS63 4.2 55.9 1.0 CB D:ILE106 4.2 47.9 1.0 O D:ALA61 4.4 42.2 1.0 C17 D:AV9401 4.5 45.8 1.0 C D:ILE106 4.5 49.6 1.0 CG D:LYS63 4.5 61.2 1.0 CA D:LYS63 4.6 53.0 1.0 C38 D:AV9401 4.6 54.9 1.0 CB D:ILE108 4.6 58.6 1.0 C D:ALA62 4.6 56.3 1.0 N37 D:AV9401 4.7 47.6 1.0 C D:ALA61 4.8 44.8 1.0 O25 D:AV9401 4.9 48.4 1.0 O36 D:AV9401 5.0 41.0 1.0 CA D:ALA62 5.0 52.0 1.0 N D:ILE108 5.0 46.8 1.0

Chlorine binding site 4 out of 4 in the STE20-Like Serine/Threonine-Protein Kinase (Slk) in Complex with Tivozanib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of STE20-Like Serine/Threonine-Protein Kinase (Slk) in Complex with Tivozanib within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl401 b:65.8 occ:1.00 CL4 G:AV9401 0.0 65.8 1.0 C11 G:AV9401 1.7 53.9 1.0 C13 G:AV9401 2.7 49.5 1.0 C15 G:AV9401 2.7 47.2 1.0 N28 G:AV9401 2.9 56.0 1.0 O G:ILE106 3.7 58.5 1.0 CB G:LYS63 3.8 63.6 1.0 CG1 G:ILE108 3.8 58.0 1.0 CG2 G:ILE108 3.9 59.8 1.0 CD1 G:ILE108 3.9 59.1 1.0 N21 G:AV9401 4.0 66.6 1.0 C12 G:AV9401 4.0 45.5 1.0 C16 G:AV9401 4.0 47.9 1.0 CG2 G:ILE106 4.0 58.7 1.0 C35 G:AV9401 4.1 56.5 1.0 O G:ALA61 4.3 50.2 1.0 CB G:ILE106 4.3 58.1 1.0 N G:LYS63 4.3 65.6 1.0 C G:ILE106 4.4 58.2 1.0 C17 G:AV9401 4.5 45.5 1.0 CB G:ILE108 4.5 56.4 1.0 CD G:LYS63 4.5 70.6 1.0 CE G:LYS63 4.6 78.2 1.0 C38 G:AV9401 4.6 68.4 1.0 C G:ALA62 4.7 65.5 1.0 CA G:LYS63 4.7 62.9 1.0 N37 G:AV9401 4.7 61.6 1.0 CG G:LYS63 4.7 68.0 1.0 C G:ALA61 4.8 54.9 1.0 N G:ILE108 4.8 54.1 1.0 CA G:ALA62 4.9 62.5 1.0 O36 G:AV9401 4.9 51.7 1.0

A.Kraemer, A.Doelle, S.Knapp, Structural Genomics Consortium (Sgc). STE20-Like Serine/Threonine-Protein Kinase (Slk) in Complex with Tivozanib To Be Published.