Chlorine in PDB 8rue: Crystal Structure of Rhizobium Etli L-Asparaginase Reav H139A Mutant

The structure of Crystal Structure of Rhizobium Etli L-Asparaginase Reav H139A Mutant, PDB code: 8rue was solved by K.Pokrywka, M.Grzechowiak, J.Sliwiak, P.Worsztynowicz, J.I.Loch, M.Ruszkowski, M.Gilski, M.Jaskolski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.87 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	77.906, 91.472, 114.471, 90, 96.98, 90
R / Rfree (%)	14.1 / 17.6

The structure of Crystal Structure of Rhizobium Etli L-Asparaginase Reav H139A Mutant also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Rhizobium Etli L-Asparaginase Reav H139A Mutant (pdb code 8rue). 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 Rhizobium Etli L-Asparaginase Reav H139A Mutant, PDB code: 8rue:

Chlorine binding site 1 out of 1 in the Crystal Structure of Rhizobium Etli L-Asparaginase Reav H139A Mutant


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 Rhizobium Etli L-Asparaginase Reav H139A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl410 b:60.3 occ:1.00 O A:HOH651 2.9 25.0 1.0 NH2 A:ARG90 3.1 26.0 1.0 NE A:ARG90 3.4 22.7 1.0 CE A:MET241 3.5 18.9 1.0 CZ A:ARG90 3.7 25.0 1.0 SD A:MET241 3.8 18.0 1.0 O A:HOH718 4.4 40.9 1.0 O A:HOH800 4.5 32.2 1.0 CB A:ARG86 4.6 16.1 1.0 O A:ARG86 4.6 15.0 1.0 CD A:ARG90 4.6 21.4 1.0 CG A:MET241 4.8 16.2 1.0 O A:HOH864 4.9 33.6 1.0 CB A:ARG90 4.9 14.8 1.0

K.Pokrywka, M.Grzechowiak, J.Sliwiak, P.Worsztynowicz, J.I.Loch, M.Ruszkowski, M.Gilski, M.Jaskolski. Probing the Active Site of Class 3 L-Asparaginase By Mutagenesis. I. Tinkering with the Zinc Coordination Site of Reav Front Chem 2024.
ISSN: ESSN 2296-2646
DOI: 10.3389/FCHEM.2024.1381032