Chlorine in PDB 8qlt: Human MST3 (STK24) Kinase in Complex with Inhibitor MR30

All present enzymatic activity of Human MST3 (STK24) Kinase in Complex with Inhibitor MR30:
2.7.11.1;

The structure of Human MST3 (STK24) Kinase in Complex with Inhibitor MR30, PDB code: 8qlt 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)	41.58 / 1.47
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.547, 58.56, 61.173, 90, 107.27, 90
R / Rfree (%)	15.2 / 17.6

The binding sites of Chlorine atom in the Human MST3 (STK24) Kinase in Complex with Inhibitor MR30 (pdb code 8qlt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Human MST3 (STK24) Kinase in Complex with Inhibitor MR30, PDB code: 8qlt:

Chlorine binding site 1 out of 1 in the Human MST3 (STK24) Kinase in Complex with Inhibitor MR30


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 MR30 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:28.6 occ:1.00 CL A:VZ2401 0.0 28.6 1.0 C28 A:VZ2401 1.7 22.4 1.0 C29 A:VZ2401 2.7 23.6 1.0 C9 A:VZ2401 2.7 21.0 1.0 C10 A:VZ2401 3.1 20.1 1.0 CG A:MET111 3.2 30.5 0.7 C11 A:VZ2401 3.4 18.9 1.0 CG A:MET111 3.6 17.3 0.3 CB A:ALA63 3.7 19.8 1.0 O A:ALA63 3.7 20.6 1.0 CB A:MET111 3.8 27.3 0.7 C A:ALA63 3.8 17.6 1.0 N A:LYS65 3.8 19.5 1.0 CB A:LYS65 3.9 20.3 1.0 CB A:MET111 3.9 19.5 0.3 C27 A:VZ2401 3.9 19.2 1.0 C6 A:VZ2401 4.0 22.7 1.0 C8 A:VZ2401 4.0 23.7 1.0 N A:ILE64 4.0 18.4 1.0 C A:ILE64 4.1 19.5 1.0 O A:ILE109 4.2 20.1 1.0 O1 A:VZ2401 4.3 20.9 1.0 CG1 A:VAL50 4.3 22.9 1.0 CA A:ILE64 4.4 18.9 1.0 CA A:LYS65 4.4 19.5 1.0 CA A:ALA63 4.4 17.8 1.0 C7 A:VZ2401 4.5 24.8 1.0 C12 A:VZ2401 4.5 17.6 1.0 N A:MET111 4.6 18.9 0.3 CE A:MET111 4.6 34.7 0.7 N A:MET111 4.6 21.1 0.7 O A:ILE64 4.7 21.1 1.0 SD A:MET111 4.7 35.3 0.7 CA A:MET111 4.8 22.2 0.7 CA A:MET111 4.8 18.6 0.3 N4 A:VZ2401 4.9 19.2 1.0 CE A:LYS65 4.9 23.3 1.0

D.I.Balourdas, M.Rak, S.Knapp, A.C.Joerger. Human MST3 (STK24) Kinase in Complex with Inhibitor MR30 To Be Published.