Bromine in PDB 6a1c: Crystal Structure of the CK2A1-GO289 Complex

All present enzymatic activity of Crystal Structure of the CK2A1-GO289 Complex:
2.7.11.1;

The structure of Crystal Structure of the CK2A1-GO289 Complex, PDB code: 6a1c was solved by T.Kinoshita, M.Tsuyuguchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.94 / 1.68
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.657, 78.831, 79.403, 90.00, 90.00, 90.00
R / Rfree (%)	13.8 / 19.6

The structure of Crystal Structure of the CK2A1-GO289 Complex also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Bromine atom in the Crystal Structure of the CK2A1-GO289 Complex (pdb code 6a1c). 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 Crystal Structure of the CK2A1-GO289 Complex, PDB code: 6a1c:

Bromine binding site 1 out of 1 in the Crystal Structure of the CK2A1-GO289 Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the CK2A1-GO289 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Br401 b:29.7 occ:1.00 BR9 A:9NX401 0.0 29.7 1.0 C3 A:9NX401 1.8 25.2 1.0 C2 A:9NX401 2.7 27.1 1.0 C4 A:9NX401 2.8 23.1 1.0 C11 A:9NX401 3.2 30.4 1.0 O A:HOH544 3.3 35.4 1.0 CB A:PHE113 3.8 14.3 1.0 CD1 A:ILE95 3.9 11.6 1.0 CG1 A:ILE95 3.9 11.8 1.0 CG A:PHE113 3.9 13.2 1.0 C1 A:9NX401 4.0 27.4 1.0 S19 A:9NX401 4.0 63.6 1.0 C5 A:9NX401 4.1 29.1 1.0 CG2 A:ILE174 4.1 13.4 1.0 CG1 A:VAL66 4.1 18.7 1.0 CD2 A:PHE113 4.1 13.4 1.0 SD A:MET163 4.2 33.0 1.0 CB A:VAL66 4.2 19.2 1.0 O A:GLU114 4.4 16.0 1.0 N12 A:9NX401 4.5 27.6 1.0 CD1 A:PHE113 4.5 14.5 1.0 C6 A:9NX401 4.5 27.2 1.0 CG2 A:VAL66 4.5 20.0 1.0 CB A:ILE174 4.7 11.2 1.0 CE2 A:PHE113 4.9 16.0 1.0 CD1 A:ILE174 4.9 13.8 1.0 O7 A:9NX401 4.9 29.6 1.0

T.Oshima, Y.Niwa, K.Kuwata, A.Srivastava, T.Hyoda, Y.Tsuchiya, M.Kumagai, M.Tsuyuguchi, T.Tamaru, A.Sugiyama, N.Ono, N.Zolboot, Y.Aikawa, S.Oishi, A.Nonami, F.Arai, S.Hagihara, J.Yamaguchi, F.Tama, Y.Kunisaki, K.Yagita, M.Ikeda, T.Kinoshita, S.A.Kay, K.Itami, T.Hirota. Cell-Based Screen Identifies A New Potent and Highly Selective CK2 Inhibitor For Modulation of Circadian Rhythms and Cancer Cell Growth. Sci Adv V. 5 U9060 2019.
ISSN: ESSN 2375-2548
PubMed: 30746467
DOI: 10.1126/SCIADV.AAU9060