Chlorine in PDB 6fyl: X-Ray Structure of CLK2-Kd(136-496)/Cx-4945 at 1.95A

All present enzymatic activity of X-Ray Structure of CLK2-Kd(136-496)/Cx-4945 at 1.95A:
2.7.12.1;

The structure of X-Ray Structure of CLK2-Kd(136-496)/Cx-4945 at 1.95A, PDB code: 6fyl was solved by J.Kallen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.57 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.631, 75.997, 111.701, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 21.3

The binding sites of Chlorine atom in the X-Ray Structure of CLK2-Kd(136-496)/Cx-4945 at 1.95A (pdb code 6fyl). 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 X-Ray Structure of CLK2-Kd(136-496)/Cx-4945 at 1.95A, PDB code: 6fyl:

Chlorine binding site 1 out of 1 in the X-Ray Structure of CLK2-Kd(136-496)/Cx-4945 at 1.95A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of CLK2-Kd(136-496)/Cx-4945 at 1.95A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:28.9 occ:1.00 CL22 A:3NG501 0.0 28.9 1.0 C18 A:3NG501 1.7 24.8 1.0 C17 A:3NG501 2.7 22.7 1.0 C19 A:3NG501 2.7 24.8 1.0 CZ A:PHE174 3.2 26.3 0.5 N A:GLU171 3.5 25.3 1.0 CE1 A:PHE174 3.6 26.4 0.5 C A:GLU171 3.6 26.7 1.0 C A:GLY170 3.7 24.4 1.0 O A:GLU171 3.8 26.7 1.0 CA A:GLU171 3.8 26.7 1.0 N A:GLY172 3.9 26.9 1.0 CG2 A:VAL177 3.9 20.5 1.0 O A:GLY170 3.9 23.5 1.0 C16 A:3NG501 4.0 20.8 1.0 C20 A:3NG501 4.0 24.1 1.0 CA A:GLY170 4.3 24.2 1.0 CE2 A:PHE174 4.3 26.5 0.5 N A:VAL177 4.3 21.5 1.0 O A:GLY175 4.5 24.2 1.0 CA A:GLY172 4.5 27.5 1.0 C21 A:3NG501 4.5 22.4 1.0 CB A:VAL177 4.5 20.9 1.0 O A:HOH850 4.8 43.4 1.0 CA A:ARG176 4.9 22.9 1.0 C A:ARG176 4.9 22.0 1.0 CD1 A:PHE174 4.9 25.7 0.5

J.Kallen, C.Bergsdorf, B.Arnaud, M.Bernhard, M.Brichet, A.Cobos-Correa, A.Elhajouji, F.Freuler, I.Galimberti, C.Guibourdenche, S.Haenni, S.Holzinger, J.Hunziker, A.Izaac, M.Kaufmann, L.Leder, H.J.Martus, P.Von Matt, V.Polyakov, P.Roethlisberger, G.Roma, N.Stiefl, M.Uteng, A.Lerchner. X-Ray Structures and Feasibility Assessment of CLK2 Inhibitors For Phelan-Mcdermid Syndrome. Chemmedchem V. 13 1997 2018.
ISSN: ESSN 1860-7187
PubMed: 29985556
DOI: 10.1002/CMDC.201800344