Chlorine in PDB 4grb: Casein Kinase 2 (CK2) Bound to Inhibitor

All present enzymatic activity of Casein Kinase 2 (CK2) Bound to Inhibitor:
2.7.11.1;

The structure of Casein Kinase 2 (CK2) Bound to Inhibitor, PDB code: 4grb was solved by N.A.Larsen, J.E.Dowling, A.D.Ferguson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.91 / 2.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.431, 61.897, 116.241, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 25.1

The binding sites of Chlorine atom in the Casein Kinase 2 (CK2) Bound to Inhibitor (pdb code 4grb). 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 (CK2) Bound to Inhibitor, PDB code: 4grb:

Chlorine binding site 1 out of 1 in the Casein Kinase 2 (CK2) Bound to 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 (CK2) Bound to Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:60.8 occ:1.00 O A:HOH619 3.1 54.4 1.0 NH2 A:ARG80 3.1 46.3 1.0 O A:HOH564 3.3 44.2 1.0 NH2 A:ARG155 3.7 32.3 1.0 ND2 A:ASN189 4.1 45.3 1.0 CB A:ASN189 4.1 42.8 1.0 CZ A:ARG80 4.2 44.9 1.0 NH1 A:ARG80 4.5 45.6 1.0 CG A:ASN189 4.6 44.4 1.0 CZ A:ARG155 4.7 33.0 1.0 NH1 A:ARG155 4.8 32.5 1.0 CG1 A:VAL192 5.0 39.5 1.0

J.E.Dowling, M.Alimzhanov, L.Bao, M.H.Block, C.Chuaqui, E.L.Cooke, C.R.Denz, A.Hird, S.Huang, N.A.Larsen, B.Peng, T.W.Pontz, C.Rivard-Costa, J.C.Saeh, K.Thakur, Q.Ye, T.Zhang, P.D.Lyne. Structure and Property Based Design of Pyrazolo[1,5-A]Pyrimidine Inhibitors of CK2 Kinase with Activity in Vivo. Acs Med Chem Lett V. 4 800 2013.
ISSN: ISSN 1948-5875
PubMed: 24900749
DOI: 10.1021/ML400197U