Chlorine in PDB 2xsq: Crystal Structure of Human Nudix Motif 16 (NUDT16) in Complex with Imp and Magnesium

The structure of Crystal Structure of Human Nudix Motif 16 (NUDT16) in Complex with Imp and Magnesium, PDB code: 2xsq was solved by L.Tresaugues, M.Welin, C.H.Arrowsmith, H.Berglund, C.Bountra, R.Collins, A.M.Edwards, S.Flodin, A.Flores, S.Graslund, M.Hammarstrom, I.Johansson, T.Karlberg, S.Kol, T.Kotenyova, E.Kouznetsova, M.Moche, T.Nyman, C.Persson, H.Schuler, P.Schutz, M.I.Siponen, A.G.Thorsell, S.Van Denberg, E.Wahlberg, J.Weigelt, P.Nordlund, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	81.74 / 1.72
Space group	F 2 3
Cell size a, b, c (Å), α, β, γ (°)	141.583, 141.583, 141.583, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 18.1

The structure of Crystal Structure of Human Nudix Motif 16 (NUDT16) in Complex with Imp and Magnesium also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human Nudix Motif 16 (NUDT16) in Complex with Imp and Magnesium (pdb code 2xsq). 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 Nudix Motif 16 (NUDT16) in Complex with Imp and Magnesium, PDB code: 2xsq:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human Nudix Motif 16 (NUDT16) in Complex with Imp and Magnesium


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 Nudix Motif 16 (NUDT16) in Complex with Imp and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1186 b:53.2 occ:1.00 NH2 A:ARG38 2.7 41.9 1.0 O A:HOH2069 3.3 52.0 1.0 N A:ARG149 3.6 29.3 1.0 CG A:ARG149 3.7 35.1 1.0 CB A:ARG149 3.9 31.5 1.0 CB A:LEU148 4.0 25.6 1.0 CZ A:ARG38 4.1 40.4 1.0 CD2 A:LEU148 4.1 25.8 1.0 CD A:ARG149 4.3 39.0 1.0 CA A:ARG149 4.4 30.6 1.0 CA A:LEU148 4.4 25.7 1.0 CD1 A:ILE39 4.4 25.1 1.0 NH1 A:ARG149 4.5 46.1 1.0 C A:LEU148 4.5 27.2 1.0 CG A:LEU148 4.6 25.0 1.0 NE A:ARG149 4.8 42.2 1.0 NH1 A:ARG38 4.8 41.5 1.0 NE A:ARG38 4.9 38.6 1.0 CZ A:ARG149 4.9 44.8 1.0

L.Tresaugues, T.Lundback, M.Welin, S.Flodin, T.Nyman, C.Silvander, S.Graslund, P.Nordlund. Structural Basis For the Specificity of Human NUDT16 and Its Regulation By Inosine Monophosphate. Plos One V. 10 31507 2015.
ISSN: ESSN 1932-6203
PubMed: 26121039
DOI: 10.1371/JOURNAL.PONE.0131507