Chlorine in PDB 3u4u: Casein Kinase 2 in Complex with Az-Inhibitor

All present enzymatic activity of Casein Kinase 2 in Complex with Az-Inhibitor:
2.7.11.1;

The structure of Casein Kinase 2 in Complex with Az-Inhibitor, PDB code: 3u4u was solved by N.A.Larsen, J.Dowling, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.01 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.528, 61.895, 116.064, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 26.9

The binding sites of Chlorine atom in the Casein Kinase 2 in Complex with Az-Inhibitor (pdb code 3u4u). 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 Casein Kinase 2 in Complex with Az-Inhibitor, PDB code: 3u4u:

Chlorine binding site 1 out of 1 in the Casein Kinase 2 in Complex with Az-Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Casein Kinase 2 in Complex with Az-Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl341 b:82.8 occ:1.00 NH2 A:ARG80 2.8 54.8 1.0 NH2 A:ARG155 3.5 44.4 1.0 O A:HOH448 3.5 58.0 1.0 NH1 A:ARG80 3.6 57.7 1.0 CZ A:ARG80 3.6 57.2 1.0 ND2 A:ASN189 4.2 55.5 1.0 CB A:ASN189 4.5 53.8 1.0 CZ A:ARG155 4.6 45.6 1.0 NH1 A:ARG155 4.8 45.2 1.0 CG A:ASN189 4.9 56.3 1.0 CG1 A:VAL192 4.9 50.9 1.0 NE A:ARG80 4.9 57.1 1.0

J.E.Dowling, C.Chuaqui, T.W.Pontz, P.D.Lyne, N.A.Larsen, M.H.Block, H.Chen, N.Su, A.Wu, D.Russell, H.Pollard, J.W.Lee, B.Peng, K.Thakur, Q.Ye, T.Zhang, P.Brassil, V.Racicot, L.Bao, C.R.Denz, E.Cooke. Potent and Selective Inhibitors of CK2 Kinase Identified Through Structure-Guided Hybridization. Acs Med Chem Lett V. 3 278 2012.
ISSN: ISSN 1948-5875
PubMed: 24900464
DOI: 10.1021/ML200257N