The binding sites of Bromine atom in the structure of Complex of CK2 With A CDC7 Inhibitor (pdb code 4anm). This binding sites where shown with 5.0 Angstroms radius around Bromine atom.
The 4anm structure was solved by T.J.STOUT, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 36.7-1.7 | | Space group | C121 | | a (A) | 142.061 | | b (A) | 60.549 | | c (A) | 44.747 | | alpha (°) | 90.00 | | beta (°) | 102.92 | | gamma (°) | 90.00 | | Rfactor (%) | 16.444 | | Rfree (%) | 20.184 |
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Bromine binding site 1 out of 1 in 4anm
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 4anm. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Ile66, A: Val116, A: Asn118, A: Met163, A: Wul1334, A: Hoh2076, A: Hoh2171, A: Hoh2178, | conact list:
| Atom | Atom | Distance (A) | | Br | CB A:Ile66 | 4.94 | | Br | CD1 A:Ile66 | 3.83 | | Br | CG2 A:Ile66 | 4.95 | | Br | CG1 A:Ile66 | 3.92 | | Br | O A:Val116 | 3.24 | | Br | N A:Val116 | 3.96 | | Br | CB A:Val116 | 4.04 | | Br | CG2 A:Val116 | 4.76 | | Br | C A:Val116 | 4.15 | | Br | CA A:Val116 | 4.31 | | Br | CB A:Asn118 | 4.58 | | Br | CB A:Met163 | 4.84 | | Br | CG A:Met163 | 4.16 | | Br | SD A:Met163 | 3.95 | | Br | C9 A:Wul1334 | 2.81 | | Br | C11 A:Wul1334 | 2.89 | | Br | BR1 A:Wul1334 | 0.00 | | Br | C8 A:Wul1334 | 4.12 | | Br | C6 A:Wul1334 | 4.60 | | Br | C7 A:Wul1334 | 4.19 | | Br | C10 A:Wul1334 | 1.97 | | Br | O A:Hoh2076 | 4.18 | | Br | O A:Hoh2171 | 3.73 | | Br | O A:Hoh2178 | 4.85 |
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