Chlorine in PDB 6khe: Crystal Structure of CLK2 in Complex with Cx-4945

All present enzymatic activity of Crystal Structure of CLK2 in Complex with Cx-4945:
2.7.12.1;

The structure of Crystal Structure of CLK2 in Complex with Cx-4945, PDB code: 6khe was solved by J.Y.Lee, J.S.Yun, H.Jin, J.H.Chang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.46 / 2.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	75.627, 75.627, 161.825, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 26.1

The binding sites of Chlorine atom in the Crystal Structure of CLK2 in Complex with Cx-4945 (pdb code 6khe). 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 Crystal Structure of CLK2 in Complex with Cx-4945, PDB code: 6khe:

Chlorine binding site 1 out of 1 in the Crystal Structure of CLK2 in Complex with Cx-4945


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 CLK2 in Complex with Cx-4945 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1000 b:88.3 occ:1.00 CL22 A:3NG1000 0.0 88.3 1.0 C18 A:3NG1000 1.7 64.5 1.0 C17 A:3NG1000 2.7 54.2 1.0 C19 A:3NG1000 2.7 59.0 1.0 CG2 A:VAL177 3.4 51.5 1.0 CZ A:PHE174 3.6 61.7 1.0 N A:GLU171 3.6 58.0 1.0 C A:GLY170 3.7 58.4 1.0 C A:GLU171 3.8 66.3 1.0 CA A:GLU171 3.8 67.4 1.0 O A:GLY170 3.9 54.9 1.0 C16 A:3NG1000 3.9 55.5 1.0 O A:GLU171 3.9 64.2 1.0 C20 A:3NG1000 4.0 58.1 1.0 CB A:VAL177 4.0 50.8 1.0 N A:GLY172 4.2 65.0 1.0 CA A:GLY170 4.2 61.4 1.0 CE1 A:PHE174 4.3 62.4 1.0 N A:VAL177 4.4 53.2 1.0 C21 A:3NG1000 4.4 60.6 1.0 CE2 A:PHE174 4.5 63.6 1.0 N A:GLY170 4.7 52.9 1.0 O A:GLY175 4.8 58.0 1.0 CA A:VAL177 4.8 53.8 1.0 CA A:GLY172 5.0 71.4 1.0

J.Y.Lee, J.S.Yun, W.K.Kim, H.S.Chun, H.Jin, S.Cho, J.H.Chang. Structural Basis For the Selective Inhibition of CDC2-Like Kinases By Cx-4945. Biomed Res Int V.2019 25068 2019.
ISSN: ESSN 2314-6141
PubMed: 31531359
DOI: 10.1155/2019/6125068