Chlorine in PDB 6l20: Crystal Structure of CK2A2 with Hematein

All present enzymatic activity of Crystal Structure of CK2A2 with Hematein:
2.7.11.1;

The structure of Crystal Structure of CK2A2 with Hematein, PDB code: 6l20 was solved by M.Tsuyuguchi, T.Kinoshita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.04 / 3.09
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	46.700, 89.137, 95.994, 81.15, 86.05, 90.06
R / Rfree (%)	24.1 / 32.6

The binding sites of Chlorine atom in the Crystal Structure of CK2A2 with Hematein (pdb code 6l20). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of CK2A2 with Hematein, PDB code: 6l20:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of CK2A2 with Hematein


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 CK2A2 with Hematein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:44.2 occ:1.00 NH1 A:ARG81 2.9 19.9 1.0 NH1 A:ARG156 3.1 22.1 1.0 NH2 A:ARG156 3.5 23.9 1.0 NH2 A:ARG81 3.6 18.9 1.0 CZ A:ARG81 3.7 17.6 1.0 CZ A:ARG156 3.7 22.5 1.0 CB A:ASN190 4.3 44.3 1.0 CG1 A:VAL193 4.5 35.2 1.0 ND2 A:ASN190 4.7 58.3 1.0 O A:LEU179 4.8 22.6 1.0 OE1 A:GLU181 4.9 22.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of CK2A2 with Hematein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of CK2A2 with Hematein within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl402 b:47.5 occ:1.00 N D:ASN190 3.3 31.4 1.0 NH1 D:ARG156 3.4 26.4 1.0 NH2 D:ARG156 3.7 26.2 1.0 CA D:TYR189 3.9 28.5 1.0 CB D:TYR189 3.9 22.4 1.0 CD1 D:TYR189 3.9 24.9 1.0 OE1 D:GLU181 3.9 24.0 1.0 CB D:ASN190 3.9 51.4 1.0 CZ D:ARG156 4.0 25.3 1.0 C D:TYR189 4.1 27.7 1.0 CA D:ASN190 4.2 44.6 1.0 CG D:TYR189 4.3 21.7 1.0 O D:ASN190 4.8 37.8 1.0 CD D:GLU181 4.8 24.6 1.0 CE1 D:TYR189 5.0 20.2 1.0 NH1 D:ARG81 5.0 29.3 1.0

M.Tsuyuguchi, T.Nakaniwa, A.Hirasawa, I.Nakanishi, T.Kinoshita. Structural Insights For Producing CK2 Alpha 1-Specific Inhibitors. Bioorg.Med.Chem.Lett. V. 30 26837 2020.
ISSN: ESSN 1464-3405
PubMed: 31859160
DOI: 10.1016/J.BMCL.2019.126837