Chlorine in PDB 5ads: Crystal Structure of Human Tankyrase 2 in Complex with OD39

The structure of Crystal Structure of Human Tankyrase 2 in Complex with OD39, PDB code: 5ads was solved by T.Haikarainen, L.Lehtio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.61 / 1.80
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	66.200, 66.200, 119.430, 90.00, 90.00, 90.00
R / Rfree (%)	16.713 / 20.802

The structure of Crystal Structure of Human Tankyrase 2 in Complex with OD39 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Human Tankyrase 2 in Complex with OD39 (pdb code 5ads). 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 Crystal Structure of Human Tankyrase 2 in Complex with OD39, PDB code: 5ads:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human Tankyrase 2 in Complex with OD39


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Tankyrase 2 in Complex with OD39 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2117 b:62.8 occ:1.00 CLA A:QNS2117 0.0 62.8 1.0 CAO A:QNS2117 1.9 42.5 1.0 CAQ A:QNS2117 2.8 37.6 1.0 NAK A:QNS2117 2.8 32.1 1.0 CAN A:QNS2117 2.9 34.4 1.0 CAL A:QNS2117 3.3 33.3 1.0 CAE A:QNS2117 3.4 29.8 1.0 CE2 A:PHE1035 3.5 46.8 1.0 CAD A:QNS2117 3.7 30.0 1.0 CAF A:QNS2117 3.9 32.2 1.0 CD1 A:ILE1051 3.9 61.4 1.0 O A:HOH3110 4.0 48.6 1.0 CD2 A:PHE1035 4.0 43.8 1.0 CAJ A:QNS2117 4.1 32.3 1.0 CBB A:QNS2117 4.1 29.8 1.0 O A:HIS1048 4.1 44.7 1.0 CAR A:QNS2117 4.1 34.4 1.0 CBG A:QNS2117 4.3 36.4 1.0 CAI A:QNS2117 4.3 34.9 1.0 CG1 A:ILE1051 4.4 61.1 1.0 CA A:ALA1049 4.5 56.9 1.0 OAM A:QNS2117 4.5 30.9 1.0 CAC A:QNS2117 4.6 30.6 1.0 CBA A:QNS2117 4.6 30.6 1.0 CAG A:QNS2117 4.6 29.4 1.0 CZ A:PHE1035 4.6 48.3 1.0 CB A:ILE1051 4.7 58.9 1.0 CB A:ALA1049 4.9 59.3 1.0 CAH A:QNS2117 4.9 29.8 1.0

T.Haikarainen, J.Waaler, A.Ignatev, Y.Nkizinkiko, H.Venkannagari, E.Obaji, S.Krauss, L.Lehtio. Development and Structural Analysis of Adenosine Site Binding Tankyrase Inhibitors. Bioorg.Med.Chem.Lett. V. 26 328 2016.
ISSN: ISSN 0960-894X
PubMed: 26706174
DOI: 10.1016/J.BMCL.2015.12.018