Chlorine in PDB 8bzj: Human MST3 (STK24) Kinase in Complex with Inhibitor MRLW5

All present enzymatic activity of Human MST3 (STK24) Kinase in Complex with Inhibitor MRLW5:
2.7.11.1;

The structure of Human MST3 (STK24) Kinase in Complex with Inhibitor MRLW5, PDB code: 8bzj was solved by D.I.Balourdas, M.Rak, R.Tesch, 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)	39.05 / 2.52
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	55.049, 57.737, 61.771, 88.86, 89.18, 62.12
R / Rfree (%)	18.2 / 25

The binding sites of Chlorine atom in the Human MST3 (STK24) Kinase in Complex with Inhibitor MRLW5 (pdb code 8bzj). 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 MRLW5, PDB code: 8bzj:
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 MRLW5


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 MRLW5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:52.9 occ:1.00 CL A:SJX401 0.0 52.9 1.0 C17 A:SJX401 1.7 53.8 1.0 C16 A:SJX401 2.7 48.3 1.0 C6 A:SJX401 2.7 49.8 1.0 C5 A:SJX401 3.1 46.6 1.0 CG A:MET111 3.3 51.1 0.6 C4 A:SJX401 3.4 46.6 1.0 O A:ALA63 3.5 49.2 1.0 CB A:ALA63 3.6 48.4 1.0 CB A:MET111 3.7 51.3 0.6 C A:ALA63 3.7 49.8 1.0 CB A:MET111 3.9 51.6 0.5 CG A:MET111 3.9 51.6 0.5 N A:LYS65 3.9 44.8 1.0 O A:ILE109 3.9 48.7 1.0 C9 A:SJX401 4.0 51.4 1.0 C7 A:SJX401 4.0 48.5 1.0 CG1 A:VAL50 4.0 50.2 1.0 C18 A:SJX401 4.0 46.8 1.0 CB A:LYS65 4.1 54.5 1.0 N A:ILE64 4.1 48.8 1.0 SD A:MET111 4.2 55.9 0.5 CA A:ALA63 4.3 50.0 1.0 N A:MET111 4.3 52.7 0.6 N A:MET111 4.3 52.6 0.5 C A:ILE64 4.4 50.4 1.0 O A:SJX401 4.4 51.4 1.0 C8 A:SJX401 4.5 52.7 1.0 C3 A:SJX401 4.5 47.3 1.0 CA A:ILE64 4.5 50.5 1.0 CA A:LYS65 4.6 55.6 1.0 CA A:MET111 4.6 53.2 0.6 CA A:MET111 4.7 53.2 0.5 C A:ILE109 4.8 49.8 1.0 SD A:MET111 4.9 56.7 0.6 N3 A:SJX401 5.0 45.7 1.0 C A:ILE110 5.0 51.8 1.0

Chlorine binding site 2 out of 2 in the Human MST3 (STK24) Kinase in Complex with Inhibitor MRLW5


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 MRLW5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:59.3 occ:1.00 CL B:SJX401 0.0 59.3 1.0 C17 B:SJX401 1.7 62.9 1.0 C16 B:SJX401 2.7 59.7 1.0 C6 B:SJX401 2.7 59.7 1.0 C5 B:SJX401 3.1 53.4 1.0 C4 B:SJX401 3.4 47.7 1.0 O B:ALA63 3.4 52.9 1.0 CG B:MET111 3.6 56.0 1.0 C B:ALA63 3.8 56.6 1.0 N B:LYS65 3.8 56.1 1.0 CB B:ALA63 3.8 52.9 1.0 CB B:MET111 3.9 55.7 1.0 C9 B:SJX401 4.0 58.6 1.0 CB B:LYS65 4.0 58.6 1.0 C7 B:SJX401 4.0 56.1 1.0 C18 B:SJX401 4.0 54.4 1.0 O B:ILE109 4.0 56.5 1.0 N B:ILE64 4.2 53.6 1.0 CG1 B:VAL50 4.2 48.4 1.0 SD B:MET111 4.2 66.9 1.0 C B:ILE64 4.2 57.6 1.0 N B:MET111 4.4 54.4 1.0 O B:SJX401 4.4 57.0 1.0 CA B:ALA63 4.4 54.4 1.0 CA B:ILE64 4.4 58.4 1.0 CA B:LYS65 4.5 62.3 1.0 C3 B:SJX401 4.5 54.7 1.0 C8 B:SJX401 4.5 55.5 1.0 CA B:MET111 4.8 53.1 1.0 C B:ILE109 4.9 58.7 1.0 CG2 B:VAL50 4.9 62.0 1.0 N3 B:SJX401 4.9 58.4 1.0 O B:ILE64 5.0 57.6 1.0

D.I.Balourdas, M.Rak, R.Tesch, S.Knapp, A.C.Joerger, Structural Genomics Consortium (Sgc). Human MST3 (STK24) Kinase in Complex with Inhibitor MRLW5 To Be Published.