Chlorine in PDB 7zkx: SRPK2 in Complex with Inhibitor

All present enzymatic activity of SRPK2 in Complex with Inhibitor:
2.7.11.1;

The structure of SRPK2 in Complex with Inhibitor, PDB code: 7zkx was solved by U.Graedler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	93.32 / 2.06
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	107.755, 107.755, 90.228, 90, 90, 120
R / Rfree (%)	17.9 / 20.8

The structure of SRPK2 in Complex with Inhibitor also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Chlorine atom in the SRPK2 in Complex with Inhibitor (pdb code 7zkx). 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 SRPK2 in Complex with Inhibitor, PDB code: 7zkx:

Chlorine binding site 1 out of 1 in the SRPK2 in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of SRPK2 in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:93.1 occ:1.00 CL26 A:IXQ701 0.0 93.1 1.0 C25 A:IXQ701 1.7 80.3 1.0 C24 A:IXQ701 2.7 73.5 1.0 C27 A:IXQ701 2.7 80.2 1.0 F28 A:IXQ701 3.0 71.0 1.0 NE2 A:HIS182 3.5 67.2 1.0 SD A:MET243 3.5 120.1 1.0 CE A:MET243 3.6 121.0 1.0 CE1 A:HIS182 3.6 70.7 1.0 CE2 A:TYR239 3.7 78.2 1.0 C23 A:IXQ701 4.0 78.4 1.0 C29 A:IXQ701 4.0 80.3 1.0 OH A:TYR239 4.0 83.9 1.0 CD2 A:HIS182 4.3 69.1 1.0 CZ A:TYR239 4.4 83.2 1.0 CD2 A:LEU98 4.4 85.3 1.0 ND1 A:HIS182 4.5 69.6 1.0 C30 A:IXQ701 4.5 76.2 1.0 CD2 A:TYR239 4.7 75.4 1.0 CG A:HIS182 4.8 62.6 1.0

M.Schroder, M.Leiendecker, U.Gradler, J.Braun, A.Blum, M.Wanior, B.T.Berger, A.Kramer, S.Muller, C.Esdar, S.Knapp, T.Heinrich. Msc-1186, A Highly Selective Pan-Srpk Inhibitor Based on An Exceptionally Decorated Benzimidazole-Pyrimidine Core. J.Med.Chem. V. 66 837 2023.
ISSN: ISSN 0022-2623
PubMed: 36516476
DOI: 10.1021/ACS.JMEDCHEM.2C01705