Chlorine in PDB 3s95: Crystal Structure of the Human LIMK1 Kinase Domain in Complex with Staurosporine

All present enzymatic activity of Crystal Structure of the Human LIMK1 Kinase Domain in Complex with Staurosporine:
2.7.11.1;

The structure of Crystal Structure of the Human LIMK1 Kinase Domain in Complex with Staurosporine, PDB code: 3s95 was solved by A.Beltrami, A.Chaikuad, N.Daga, J.M.Elkins, P.Mahajan, P.Savitsky, M.Vollmar, T.Krojer, J.R.C.Muniz, O.Fedorov, C.K.Allerston, W.W.Yue, O.Gileadi, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, C.Bountra, S.Knapp, A.Bullock, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.86 / 1.65
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	106.160, 128.000, 131.350, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 18.1

The structure of Crystal Structure of the Human LIMK1 Kinase Domain in Complex with Staurosporine also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Human LIMK1 Kinase Domain in Complex with Staurosporine (pdb code 3s95). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Human LIMK1 Kinase Domain in Complex with Staurosporine, PDB code: 3s95:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Human LIMK1 Kinase Domain in Complex with Staurosporine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Human LIMK1 Kinase Domain in Complex with Staurosporine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl639 b:25.6 occ:1.00 O A:HOH41 3.1 18.7 1.0 NE2 A:GLN620 3.3 17.6 1.0 CD A:PRO619 3.5 20.7 1.0 O B:HOH93 3.5 19.1 1.0 N A:GLN620 3.5 16.0 1.0 CG A:GLN620 3.5 18.3 1.0 CG A:PRO619 3.7 20.5 1.0 N A:PRO619 3.7 18.3 1.0 CB A:GLN620 3.8 15.8 1.0 CD A:GLN620 3.9 19.9 1.0 C A:GLY618 4.2 21.5 1.0 CA A:GLY618 4.2 20.7 1.0 CA A:GLN620 4.2 15.7 1.0 O A:HOH138 4.3 21.8 1.0 CB B:PRO550 4.3 15.6 1.0 O B:PRO550 4.3 18.1 1.0 O B:HOH79 4.3 22.5 1.0 C A:PRO619 4.5 16.6 1.0 CA A:PRO619 4.5 17.8 1.0 O2 A:GOL7 4.7 45.3 0.5 CB A:PRO619 4.7 19.8 1.0 C B:PRO550 4.8 16.9 1.0 CG B:PRO550 4.9 24.2 1.0 O A:GLY618 5.0 18.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Human LIMK1 Kinase Domain in Complex with Staurosporine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Human LIMK1 Kinase Domain in Complex with Staurosporine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl640 b:29.4 occ:0.80 O B:HOH24 3.0 34.2 1.0 O B:HOH131 3.0 27.5 1.0 NE B:ARG545 3.2 22.1 1.0 NH1 B:ARG437 3.3 15.2 1.0 NH2 B:ARG437 3.3 18.6 1.0 CG B:PRO572 3.5 23.5 1.0 CB B:PRO572 3.7 21.1 1.0 CZ B:ARG437 3.7 16.5 1.0 O B:SER430 3.7 26.1 1.0 CD B:ARG545 3.8 20.6 1.0 CA B:SER430 3.8 25.8 1.0 CZ2 B:TRP434 4.0 18.9 1.0 O B:ILE543 4.1 15.5 1.0 CB B:SER430 4.1 32.6 1.0 C B:SER430 4.2 26.0 1.0 CZ B:ARG545 4.2 23.3 1.0 CG B:ARG545 4.2 17.5 1.0 NH2 B:ARG545 4.4 28.0 1.0 O B:HOH655 4.4 48.2 1.0 CH2 B:TRP434 4.6 16.1 1.0 CD B:PRO572 4.7 17.7 1.0 CE2 B:TRP434 4.8 17.5 1.0 O B:ASP429 4.9 20.5 1.0 N B:SER430 4.9 24.4 1.0

A.Beltrami, A.Chaikuad, N.Daga, J.M.Elkins, P.Mahajan, P.Savitsky, M.Vollmar, T.Krojer, J.R.C.Muniz, O.Fedorov, C.K.Allerston, W.W.Yue, O.Gileadi, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, C.Bountra, S.Knapp, A.Bullock. Crystal Structure of the Human LIMK1 Kinase Domain in Complex with Staurosporine To Be Published.