Chlorine in PDB 8uou: Structure of Atypical Asparaginase From Rhodospirillum Rubrum in Complex with L-Asp

All present enzymatic activity of Structure of Atypical Asparaginase From Rhodospirillum Rubrum in Complex with L-Asp:
3.5.1.1;

The structure of Structure of Atypical Asparaginase From Rhodospirillum Rubrum in Complex with L-Asp, PDB code: 8uou was solved by J.Lubkowski, A.Wlodawer, D.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.97 / 1.35
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	71.46, 76.126, 55.362, 90, 90, 90
R / Rfree (%)	12.3 / 17

The binding sites of Chlorine atom in the Structure of Atypical Asparaginase From Rhodospirillum Rubrum in Complex with L-Asp (pdb code 8uou). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Atypical Asparaginase From Rhodospirillum Rubrum in Complex with L-Asp, PDB code: 8uou:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Atypical Asparaginase From Rhodospirillum Rubrum in Complex with L-Asp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Atypical Asparaginase From Rhodospirillum Rubrum in Complex with L-Asp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:20.7 occ:0.50 N A:LEU28 3.3 14.8 1.0 CG A:LEU28 3.8 15.4 1.0 CB A:LEU28 3.9 14.4 1.0 CA A:GLY27 3.9 16.5 1.0 C A:GLY27 4.1 13.7 1.0 CA A:LEU28 4.2 13.8 1.0 CD1 A:LEU28 4.2 16.5 1.0 O A:HOH335 4.2 27.5 1.0 O A:LEU28 4.7 18.1 1.0 C A:LEU28 5.0 13.2 1.0

Chlorine binding site 2 out of 4 in the Structure of Atypical Asparaginase From Rhodospirillum Rubrum in Complex with L-Asp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Atypical Asparaginase From Rhodospirillum Rubrum in Complex with L-Asp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:22.8 occ:0.50 O A:HOH365 2.8 11.5 1.0 N A:GLY148 2.9 12.0 1.0 OD1 A:ASN127 3.0 10.2 1.0 N A:HIS147 3.2 11.1 1.0 C A:MET146 3.4 10.1 1.0 CA A:MET146 3.5 10.8 1.0 CE2 A:PHE126 3.6 10.2 1.0 O B:HOH334 3.7 13.5 1.0 CA A:GLY148 3.7 11.8 1.0 CG A:ASN127 3.8 8.9 1.0 CD2 A:PHE126 3.9 9.4 1.0 C A:HIS147 3.9 12.4 1.0 N A:MET146 3.9 10.9 1.0 CA A:ASN127 4.0 7.7 1.0 CA A:HIS147 4.0 12.0 1.0 CD1 A:PHE130 4.1 11.5 1.0 CB A:PHE130 4.1 7.8 1.0 CG A:PHE130 4.1 8.5 1.0 O A:MET146 4.1 11.4 1.0 CB A:ASN127 4.2 7.8 1.0 O A:ALA145 4.3 11.3 1.0 C A:ALA145 4.3 9.3 1.0 N A:LYS149 4.7 12.8 1.0 CD2 A:PHE130 4.7 10.0 1.0 C A:GLY148 4.7 11.7 1.0 CZ A:PHE126 4.7 10.4 1.0 N A:ASN127 4.7 7.8 1.0 CE1 A:PHE130 4.8 12.6 1.0 ND2 A:ASN127 4.8 10.2 1.0 O A:ASN127 4.8 8.5 1.0 CB A:MET146 4.9 12.1 1.0 C A:ASN127 4.9 7.4 1.0 O A:PHE126 5.0 8.1 1.0

Chlorine binding site 3 out of 4 in the Structure of Atypical Asparaginase From Rhodospirillum Rubrum in Complex with L-Asp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Atypical Asparaginase From Rhodospirillum Rubrum in Complex with L-Asp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:32.8 occ:0.90 O A:HOH431 2.2 35.6 1.0 O A:HOH382 2.9 27.7 1.0 O A:HOH480 3.0 39.0 1.0 N A:LEU23 3.3 15.4 1.0 CA A:ARG22 3.6 13.7 1.0 CD A:ARG22 3.7 26.9 1.0 CD1 A:LEU23 3.9 26.6 1.0 C A:ARG22 3.9 15.5 1.0 CB A:LEU23 4.1 25.4 1.0 O A:TYR21 4.2 14.6 1.0 CB A:ARG22 4.2 16.9 1.0 CA A:LEU23 4.3 17.0 1.0 CG A:ARG22 4.5 22.7 1.0 CG A:LEU23 4.6 29.9 1.0 N A:ARG22 4.7 12.8 1.0 N A:GLU24 4.8 19.4 1.0 O A:HOH356 4.8 38.0 1.0 C A:TYR21 4.9 12.1 1.0 NE A:ARG22 4.9 28.2 1.0

Chlorine binding site 4 out of 4 in the Structure of Atypical Asparaginase From Rhodospirillum Rubrum in Complex with L-Asp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Atypical Asparaginase From Rhodospirillum Rubrum in Complex with L-Asp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:15.8 occ:0.50 N B:LEU28 3.2 11.2 1.0 CG B:LEU28 3.8 12.8 1.0 CA B:GLY27 3.8 11.6 1.0 CB B:LEU28 3.9 11.4 1.0 O B:HOH352 4.1 23.9 1.0 C B:GLY27 4.1 9.8 1.0 CA B:LEU28 4.1 10.7 1.0 CD1 B:LEU28 4.2 12.3 1.0 O B:LEU28 4.6 14.5 1.0 C B:LEU28 4.9 10.9 1.0

D.Zhang, H.Czapinska, M.Bochtler, A.Wlodawer, J.Lubkowski. Rra, An Enzyme From Rhodospirillum Rubrum, Is A Prototype of A New Family of Short-Chain L-Asparaginases. Protein Sci. V. 33 E4920 2024.
ISSN: ESSN 1469-896X
PubMed: 38501449
DOI: 10.1002/PRO.4920