Chlorine in PDB 6ft8: Crystal Structure of CLK1 in Complex with Inhibitor 8G

All present enzymatic activity of Crystal Structure of CLK1 in Complex with Inhibitor 8G:
2.7.12.1;

The structure of Crystal Structure of CLK1 in Complex with Inhibitor 8G, PDB code: 6ft8 was solved by A.Chaikuad, A.Walter, F.Von Delft, C.Bountra, C.H.Arrowsmith, A.M.Edwards, C.Kunick, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.65 / 1.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.640, 64.210, 88.360, 90.00, 127.67, 90.00
R / Rfree (%)	16.4 / 19.5

The structure of Crystal Structure of CLK1 in Complex with Inhibitor 8G also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of CLK1 in Complex with Inhibitor 8G (pdb code 6ft8). 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 CLK1 in Complex with Inhibitor 8G, PDB code: 6ft8:

Chlorine binding site 1 out of 1 in the Crystal Structure of CLK1 in Complex with Inhibitor 8G


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 CLK1 in Complex with Inhibitor 8G within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl509 b:39.7 occ:1.00 O A:HOH801 2.8 29.8 1.0 NH2 A:ARG266 3.1 23.8 1.0 CD A:ARG449 3.3 27.1 1.0 O A:PHE476 3.6 22.3 1.0 NH2 A:ARG449 3.7 35.0 1.0 CB A:GLU446 3.7 31.1 1.0 NE A:ARG266 3.7 20.9 1.0 CG A:GLU446 3.8 34.7 1.0 CA A:GLU446 3.8 28.6 1.0 CZ A:ARG266 3.8 22.4 1.0 CD1 A:PHE476 3.9 20.9 1.0 CA A:PHE476 4.1 22.1 1.0 CB A:ARG449 4.1 23.4 1.0 C A:PHE476 4.2 22.1 1.0 CG A:ARG449 4.2 25.6 1.0 NE A:ARG449 4.3 29.6 1.0 O A:PRO475 4.4 24.4 1.0 CZ A:ARG449 4.4 32.6 1.0 O A:GLU446 4.4 23.9 1.0 CE1 A:PHE476 4.4 21.2 1.0 CD1 A:LEU479 4.5 39.1 1.0 C A:GLU446 4.6 26.1 1.0 CB A:LEU479 4.8 33.9 1.0 CG A:PHE476 4.8 20.6 1.0 N A:GLU446 4.8 29.0 1.0 CB A:PHE476 4.9 20.8 1.0 CD A:ARG266 5.0 20.9 1.0 N A:PHE476 5.0 22.9 1.0

A.Walter, A.Chaikuad, R.Helmer, N.Loaec, L.Preu, I.Ott, S.Knapp, L.Meijer, C.Kunick. Molecular Structures of CDC2-Like Kinases in Complex with A New Inhibitor Chemotype. Plos One V. 13 96761 2018.
ISSN: ESSN 1932-6203
PubMed: 29723265
DOI: 10.1371/JOURNAL.PONE.0196761