Bromine in PDB 4anm: Complex of CK2 with A CDC7 Inhibitor

All present enzymatic activity of Complex of CK2 with A CDC7 Inhibitor:
2.7.11.1;

The structure of Complex of CK2 with A CDC7 Inhibitor, PDB code: 4anm was solved by T.J.Stout, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.71 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	142.061, 60.549, 44.747, 90.00, 102.92, 90.00
R / Rfree (%)	16.444 / 20.184

The binding sites of Bromine atom in the Complex of CK2 with A CDC7 Inhibitor (pdb code 4anm). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Complex of CK2 with A CDC7 Inhibitor, PDB code: 4anm:

Bromine binding site 1 out of 1 in the Complex of CK2 with A CDC7 Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Complex of CK2 with A CDC7 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1334 b:18.9 occ:1.00 BR1 A:WUL1334 0.0 18.9 1.0 C10 A:WUL1334 2.0 10.3 1.0 C9 A:WUL1334 2.8 11.2 1.0 C11 A:WUL1334 2.9 10.1 1.0 O A:VAL116 3.2 16.4 1.0 O A:HOH2171 3.7 32.2 1.0 CD1 A:ILE66 3.8 33.5 1.0 CG1 A:ILE66 3.9 12.1 1.0 SD A:MET163 3.9 13.3 1.0 N A:VAL116 4.0 15.3 1.0 CB A:VAL116 4.0 15.7 1.0 C8 A:WUL1334 4.1 13.5 1.0 C A:VAL116 4.1 16.0 1.0 CG A:MET163 4.2 12.2 1.0 O A:HOH2076 4.2 37.8 1.0 C7 A:WUL1334 4.2 10.9 1.0 CA A:VAL116 4.3 13.8 1.0 CB A:ASN118 4.6 16.4 1.0 C6 A:WUL1334 4.6 13.0 1.0 CG2 A:VAL116 4.8 14.1 1.0 CB A:MET163 4.8 11.2 1.0 O A:HOH2178 4.9 26.8 1.0 CB A:ILE66 4.9 11.5 1.0 CG2 A:ILE66 4.9 10.4 1.0

E.S.Koltun, A.L.Tsuhako, D.S.Brown, N.Aay, A.Arcalas, V.Chan, H.Du, S.Engst, K.Ferguson, M.Franzini, A.Galan, C.R.Holst, P.Huang, B.Kane, M.H.Kim, J.Li, D.Markby, M.Mohan, K.Noson, A.Plonowski, S.J.Richards, S.Robertson, K.Shaw, G.Stott, T.J.Stout, J.Young, P.Yu, C.A.Zaharia, W.Zhang, P.Zhou, J.M.Nuss, W.Xu, P.C.Kearney. Discovery of XL413, A Potent and Selective CDC7 Inhibitor. Bioorg.Med.Chem.Lett. V. 22 3727 2012.
ISSN: ISSN 0960-894X
PubMed: 22560567
DOI: 10.1016/J.BMCL.2012.04.024