Chlorine in PDB 5wji: Crystal Structure of the F61S Mutant of HSNUDT16

All present enzymatic activity of Crystal Structure of the F61S Mutant of HSNUDT16:
3.6.1.62; 3.6.1.64;

The structure of Crystal Structure of the F61S Mutant of HSNUDT16, PDB code: 5wji was solved by P.Thirawatananond, S.B.Gabelli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.00 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	113.779, 46.975, 72.313, 90.00, 110.43, 90.00
R / Rfree (%)	20.7 / 27.7

The binding sites of Chlorine atom in the Crystal Structure of the F61S Mutant of HSNUDT16 (pdb code 5wji). 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 the F61S Mutant of HSNUDT16, PDB code: 5wji:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the F61S Mutant of HSNUDT16


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 the F61S Mutant of HSNUDT16 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:66.8 occ:1.00 O A:HOH425 3.5 36.2 1.0 CB A:ARG92 3.9 35.0 1.0 N A:ARG92 4.3 34.7 1.0 CG2 A:THR93 4.5 33.5 1.0 N A:THR93 4.6 32.3 1.0 CA A:ARG92 4.6 36.1 1.0 O A:HOH405 4.6 50.9 1.0 CB A:GLU91 4.8 42.8 1.0 CG A:ARG92 4.9 35.7 1.0 C A:ARG92 5.0 34.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the F61S Mutant of HSNUDT16


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 the F61S Mutant of HSNUDT16 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:74.8 occ:1.00 O B:ASP66 4.5 64.7 1.0 O B:HOH341 4.7 55.5 1.0 CA B:SER68 4.8 49.8 1.0

P.Thirawatananond, R.L.Mcpherson, J.Malhi, S.Nathan, M.J.Lambrecht, M.Brichacek, P.J.Hergenrother, A.K.L.Leung, S.B.Gabelli. Structural Analyses of NUDT16-Adp-Ribose Complexes Direct Rational Design of Mutants with Improved Processing of Poly(Adp-Ribosyl)Ated Proteins. Sci Rep V. 9 5940 2019.
ISSN: ESSN 2045-2322
PubMed: 30976021
DOI: 10.1038/S41598-019-39491-W