Chlorine in PDB 5nxd: Lim Domain Kinase 2 (LIMK2) in Complex with Th-300

All present enzymatic activity of Lim Domain Kinase 2 (LIMK2) in Complex with Th-300:
2.7.11.1;

The structure of Lim Domain Kinase 2 (LIMK2) in Complex with Th-300, PDB code: 5nxd was solved by S.Mathea, E.Salah, T.Hanke, J.A.Newman, S.Oerum, D.Wang, N.Burgess-Brown, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, A.N.Bullock, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.61 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.275, 66.605, 82.124, 90.00, 97.43, 90.00
R / Rfree (%)	19.5 / 23

The binding sites of Chlorine atom in the Lim Domain Kinase 2 (LIMK2) in Complex with Th-300 (pdb code 5nxd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Lim Domain Kinase 2 (LIMK2) in Complex with Th-300, PDB code: 5nxd:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Lim Domain Kinase 2 (LIMK2) in Complex with Th-300


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Lim Domain Kinase 2 (LIMK2) in Complex with Th-300 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:37.1 occ:1.00 CL A:9D8701 0.0 37.1 1.0 C17 A:9D8701 1.7 31.1 1.0 C16 A:9D8701 2.7 29.6 1.0 C18 A:9D8701 2.7 24.4 1.0 CB A:ARG474 3.4 20.5 1.0 CD2 A:HIS449 3.5 22.3 1.0 CG A:HIS449 3.7 19.6 1.0 CD1 A:LEU442 3.8 21.7 1.0 CA A:HIS449 3.9 18.2 1.0 CB A:HIS449 3.9 19.6 1.0 C19 A:9D8701 4.0 25.1 1.0 C15 A:9D8701 4.0 28.4 1.0 CG2 A:ILE447 4.0 25.3 1.0 NE2 A:HIS449 4.2 20.4 1.0 CG A:ARG474 4.2 23.4 1.0 OD2 A:ASP469 4.4 21.4 1.0 CB A:ASP469 4.4 18.7 1.0 ND1 A:HIS449 4.4 20.6 1.0 C20 A:9D8701 4.5 25.8 1.0 CD2 A:LEU442 4.5 20.9 1.0 CG A:ASP469 4.6 23.4 1.0 CA A:ARG474 4.6 18.4 1.0 N A:HIS449 4.6 19.4 1.0 CE1 A:HIS449 4.7 19.0 1.0 CG A:LEU442 4.7 19.5 1.0 N1 A:9D8701 4.9 31.9 1.0 O A:ILE448 4.9 20.6 1.0 CD A:ARG474 5.0 22.4 1.0 C A:ILE448 5.0 21.1 1.0

Chlorine binding site 2 out of 2 in the Lim Domain Kinase 2 (LIMK2) in Complex with Th-300


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Lim Domain Kinase 2 (LIMK2) in Complex with Th-300 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl701 b:40.8 occ:1.00 CL B:9D8701 0.0 40.8 1.0 C17 B:9D8701 1.7 34.1 1.0 C16 B:9D8701 2.7 29.4 1.0 C18 B:9D8701 2.7 29.8 1.0 CB B:ARG474 3.4 25.6 1.0 CD2 B:HIS449 3.5 24.2 1.0 CG B:HIS449 3.7 25.4 1.0 CA B:HIS449 3.8 21.1 1.0 CG2 B:ILE447 3.8 29.4 1.0 CB B:HIS449 3.8 22.4 1.0 C15 B:9D8701 4.0 29.7 1.0 C19 B:9D8701 4.0 30.6 1.0 CD1 B:LEU442 4.0 27.4 1.0 OD2 B:ASP469 4.2 26.5 1.0 CG B:ARG474 4.2 25.3 1.0 NE2 B:HIS449 4.4 25.7 1.0 N B:HIS449 4.4 21.9 1.0 C20 B:9D8701 4.5 28.9 1.0 CD2 B:LEU442 4.5 22.4 1.0 CB B:ASP469 4.5 24.9 1.0 CA B:ARG474 4.5 26.1 1.0 ND1 B:HIS449 4.5 22.7 1.0 CG B:ASP469 4.6 25.8 1.0 CG B:LEU442 4.7 23.1 1.0 O B:ILE448 4.8 18.2 1.0 C B:ILE448 4.8 20.4 1.0 N1 B:9D8701 4.8 34.1 1.0 CE1 B:HIS449 4.9 24.6 1.0 C B:HIS449 4.9 22.0 1.0 O B:HIS449 5.0 23.9 1.0

S.Mathea, E.Salah, T.Hanke, J.A.Newman, S.Oerum, D.Wang, N.Burgess-Brown, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, A.N.Bullock, S.Knapp. Lim Domain Kinase 2 (LIMK2)in Complex with Th-300 To Be Published.