Chlorine in PDB 8qlr: Human MST3 (STK24) Kinase in Complex with Inhibitor MR24

All present enzymatic activity of Human MST3 (STK24) Kinase in Complex with Inhibitor MR24:
2.7.11.1;

The structure of Human MST3 (STK24) Kinase in Complex with Inhibitor MR24, PDB code: 8qlr was solved by D.I.Balourdas, M.Rak, S.Knapp, A.C.Joerger, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.70 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.468, 93.55, 61.792, 90, 92.31, 90
R / Rfree (%)	18 / 21.7

The binding sites of Chlorine atom in the Human MST3 (STK24) Kinase in Complex with Inhibitor MR24 (pdb code 8qlr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human MST3 (STK24) Kinase in Complex with Inhibitor MR24, PDB code: 8qlr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human MST3 (STK24) Kinase in Complex with Inhibitor MR24


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human MST3 (STK24) Kinase in Complex with Inhibitor MR24 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:37.2 occ:1.00 CL B:VYN401 0.0 37.2 1.0 C24 B:VYN401 1.7 31.9 1.0 C25 B:VYN401 2.7 32.3 1.0 C9 B:VYN401 2.7 32.9 1.0 C10 B:VYN401 3.1 31.4 1.0 C11 B:VYN401 3.3 31.2 1.0 CB B:ALA63 3.8 32.0 1.0 N B:LYS65 3.8 35.4 1.0 O B:ALA63 3.8 37.5 1.0 CB B:LYS65 3.8 40.0 1.0 C B:ALA63 3.9 39.5 1.0 CG B:MET111 4.0 42.7 1.0 CB B:MET111 4.0 34.8 1.0 C6 B:VYN401 4.0 32.6 1.0 C8 B:VYN401 4.0 37.0 1.0 O B:ILE109 4.0 37.0 1.0 C23 B:VYN401 4.1 34.5 1.0 N B:ILE64 4.1 34.8 1.0 CG1 B:VAL50 4.1 40.3 1.0 C B:ILE64 4.2 40.2 1.0 CA B:LYS65 4.4 35.8 1.0 CA B:ILE64 4.4 37.1 1.0 C12 B:VYN401 4.5 30.9 1.0 SD B:MET111 4.5 40.8 1.0 CA B:ALA63 4.5 40.7 1.0 C7 B:VYN401 4.5 35.7 1.0 O2 B:VYN401 4.6 33.9 1.0 N B:MET111 4.6 38.0 1.0 O B:ILE64 4.8 39.6 1.0 CA B:MET111 4.9 34.3 1.0 C B:ILE109 4.9 34.1 1.0 N3 B:VYN401 5.0 34.5 1.0

Chlorine binding site 2 out of 2 in the Human MST3 (STK24) Kinase in Complex with Inhibitor MR24


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human MST3 (STK24) Kinase in Complex with Inhibitor MR24 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:42.0 occ:1.00 CL A:VYN401 0.0 42.0 1.0 C24 A:VYN401 1.7 41.8 1.0 C25 A:VYN401 2.7 32.5 1.0 C9 A:VYN401 2.7 37.4 1.0 C10 A:VYN401 3.1 32.3 1.0 CG A:MET111 3.3 48.5 1.0 C11 A:VYN401 3.4 33.2 1.0 O A:ALA63 3.7 36.8 1.0 CB A:ALA63 3.7 32.9 1.0 N A:LYS65 3.8 36.7 1.0 CB A:MET111 3.8 40.5 1.0 CB A:LYS65 3.8 37.2 1.0 C A:ALA63 3.8 37.8 1.0 CG1 A:VAL50 3.9 42.0 1.0 C23 A:VYN401 4.0 36.0 1.0 C6 A:VYN401 4.0 36.3 1.0 C8 A:VYN401 4.0 40.6 1.0 N A:ILE64 4.1 35.5 1.0 C A:ILE64 4.2 35.8 1.0 O A:ILE109 4.3 37.0 1.0 CA A:LYS65 4.3 36.9 1.0 O2 A:VYN401 4.3 37.0 1.0 CA A:ALA63 4.4 36.0 1.0 CA A:ILE64 4.5 35.8 1.0 C7 A:VYN401 4.5 38.3 1.0 C12 A:VYN401 4.5 35.8 1.0 N A:MET111 4.6 35.5 1.0 CG2 A:VAL50 4.8 42.1 1.0 SD A:MET111 4.8 48.9 1.0 CA A:MET111 4.8 36.8 1.0 N3 A:VYN401 4.9 37.5 1.0 O A:ILE64 4.9 36.1 1.0 CE A:LYS65 4.9 36.4 1.0 CB A:VAL50 5.0 43.8 1.0 CE A:MET111 5.0 50.1 1.0

D.I.Balourdas, M.Rak, S.Knapp, A.C.Joerger. Human MST3 (STK24) Kinase in Complex with Inhibitor MR24 To Be Published.