Chlorine in PDB 6p5s: HIPK2 Kinase Domain Bound to Cx-4945

All present enzymatic activity of HIPK2 Kinase Domain Bound to Cx-4945:
2.7.11.1;

The structure of HIPK2 Kinase Domain Bound to Cx-4945, PDB code: 6p5s was solved by C.Agnew, L.Liu, N.Jura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.36 / 2.19
Space group	P 62
Cell size a, b, c (Å), α, β, γ (°)	130.155, 130.155, 52.253, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 23.8

The binding sites of Chlorine atom in the HIPK2 Kinase Domain Bound to Cx-4945 (pdb code 6p5s). 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 HIPK2 Kinase Domain Bound to Cx-4945, PDB code: 6p5s:

Chlorine binding site 1 out of 1 in the HIPK2 Kinase Domain Bound to Cx-4945


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of HIPK2 Kinase Domain Bound to Cx-4945 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:86.7 occ:1.00 CL22 A:3NG601 0.0 86.7 1.0 C18 A:3NG601 1.8 79.7 1.0 C19 A:3NG601 2.7 71.0 1.0 C17 A:3NG601 2.8 76.3 1.0 O A:ARG207 3.6 74.9 1.0 O A:GLY206 3.7 79.5 1.0 C A:GLY206 3.7 78.4 1.0 C A:ARG207 3.7 80.5 1.0 N A:ARG207 4.0 80.7 1.0 C20 A:3NG601 4.0 67.0 1.0 C16 A:3NG601 4.1 65.0 1.0 CG2 A:VAL213 4.1 58.2 1.0 CA A:ARG207 4.3 83.6 1.0 CB A:VAL213 4.3 63.0 1.0 CA A:GLY206 4.4 75.1 1.0 O A:GLY211 4.5 0.5 1.0 C21 A:3NG601 4.5 62.9 1.0 N A:VAL213 4.6 61.7 1.0 C A:GLN212 4.9 78.3 1.0 CA A:GLN212 4.9 85.4 1.0

C.Agnew, L.Liu, S.Liu, W.Xu, L.You, W.Yeung, N.Kannan, D.Jablons, N.Jura. The Crystal Structure of the Protein Kinase HIPK2 Reveals A Unique Architecture of Its Cmgc-Insert Region. J.Biol.Chem. V. 294 13545 2019.
ISSN: ESSN 1083-351X
PubMed: 31341017
DOI: 10.1074/JBC.RA119.009725