Chlorine in PDB 4nwi: Crystal Structure of Cytosolic 5'-Nucleotidase Iiib (Cn-Iiib) Bound to Cytidine

All present enzymatic activity of Crystal Structure of Cytosolic 5'-Nucleotidase Iiib (Cn-Iiib) Bound to Cytidine:
3.1.3.5;

The structure of Crystal Structure of Cytosolic 5'-Nucleotidase Iiib (Cn-Iiib) Bound to Cytidine, PDB code: 4nwi was solved by T.Monecke, P.Neumann, R.Ficner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.88 / 2.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.600, 99.350, 72.810, 90.00, 92.46, 90.00
R / Rfree (%)	22.8 / 24.6

The structure of Crystal Structure of Cytosolic 5'-Nucleotidase Iiib (Cn-Iiib) Bound to Cytidine also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Cytosolic 5'-Nucleotidase Iiib (Cn-Iiib) Bound to Cytidine (pdb code 4nwi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Cytosolic 5'-Nucleotidase Iiib (Cn-Iiib) Bound to Cytidine, PDB code: 4nwi:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Cytosolic 5'-Nucleotidase Iiib (Cn-Iiib) Bound to Cytidine


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 Cytosolic 5'-Nucleotidase Iiib (Cn-Iiib) Bound to Cytidine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:19.3 occ:1.00 NZ A:LYS219 3.1 17.5 1.0 OD1 A:ASP55 3.1 17.2 1.0 O A:HOH512 3.1 22.1 1.0 N A:ALA172 3.1 18.5 1.0 O A:HOH628 3.2 21.7 1.0 O A:HOH551 3.2 26.0 1.0 CB A:ALA172 3.7 16.6 1.0 CD A:LYS219 3.8 21.6 1.0 CA A:ALA172 3.9 17.2 1.0 CE A:LYS219 4.0 19.1 1.0 CA A:SER171 4.0 15.5 1.0 OG A:SER171 4.0 16.2 1.0 C A:SER171 4.1 17.4 1.0 O A:HOH645 4.1 24.9 1.0 C5' A:CTN402 4.3 31.7 1.0 CG A:ASP55 4.3 17.6 1.0 N A:GLY173 4.4 16.6 1.0 C A:ALA172 4.4 18.2 1.0 O5' A:CTN402 4.5 32.5 1.0 CB A:SER171 4.6 15.5 1.0 O A:HOH630 4.7 18.6 1.0 O A:PHE170 4.8 16.4 1.0 OD2 A:ASP55 4.8 17.2 1.0 OG1 A:THR216 4.9 44.8 1.0 OD1 A:ASP249 4.9 18.2 1.0 MG A:MG401 4.9 23.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Cytosolic 5'-Nucleotidase Iiib (Cn-Iiib) Bound to Cytidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Cytosolic 5'-Nucleotidase Iiib (Cn-Iiib) Bound to Cytidine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:20.0 occ:1.00 O B:HOH636 2.9 26.8 1.0 NZ B:LYS219 3.0 14.0 1.0 O B:HOH501 3.0 30.8 1.0 N B:ALA172 3.2 15.6 1.0 OD1 B:ASP55 3.3 15.3 1.0 O B:HOH650 3.5 40.6 1.0 CB B:ALA172 3.5 19.1 1.0 O B:HOH561 3.8 42.6 1.0 CD B:LYS219 3.8 16.6 1.0 CA B:ALA172 3.9 17.1 1.0 CE B:LYS219 3.9 14.3 1.0 O5' B:CTN402 4.0 32.9 1.0 C5' B:CTN402 4.0 33.7 1.0 C B:SER171 4.2 17.8 1.0 CA B:SER171 4.2 17.9 1.0 OG B:SER171 4.3 15.9 1.0 CG B:ASP55 4.4 21.8 1.0 O B:HOH638 4.5 10.7 1.0 C B:ALA172 4.5 19.7 1.0 N B:GLY173 4.6 19.0 1.0 OD1 B:ASP249 4.7 17.7 1.0 O B:PHE170 4.8 19.3 1.0 CB B:SER171 4.8 16.6 1.0 O B:HOH514 4.8 24.1 1.0 OD2 B:ASP55 4.9 23.1 1.0 CG2 B:THR216 4.9 30.6 1.0

T.Monecke, J.Buschmann, P.Neumann, E.Wahle, R.Ficner. Crystal Structures of the Novel Cytosolic 5'-Nucleotidase Iiib Explain Its Preference For M7GMP Plos One V. 9 90915 2014.
ISSN: ESSN 1932-6203
PubMed: 24603684
DOI: 10.1371/JOURNAL.PONE.0090915