Chlorine in PDB 8osw: Crystal Structure of Rhizobium Etli L-Asparaginase Reaiv (R4MC-1)

The structure of Crystal Structure of Rhizobium Etli L-Asparaginase Reaiv (R4MC-1), PDB code: 8osw was solved by J.Loch, P.Worsztynowicz, J.Sliwiak, B.Imiolczyk, M.Grzechowiak, M.Gilski, M.Jaskolski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.20 / 1.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.762, 85.889, 82.723, 90, 108.72, 90
R / Rfree (%)	13.4 / 16.3

The structure of Crystal Structure of Rhizobium Etli L-Asparaginase Reaiv (R4MC-1) also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Rhizobium Etli L-Asparaginase Reaiv (R4MC-1) (pdb code 8osw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Rhizobium Etli L-Asparaginase Reaiv (R4MC-1), PDB code: 8osw:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Rhizobium Etli L-Asparaginase Reaiv (R4MC-1)


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 Reaiv (R4MC-1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:21.8 occ:1.00 O A:HOH827 3.0 41.3 1.0 NE A:ARG172 3.0 36.7 1.0 N A:GLU214 3.2 16.0 1.0 CG A:ARG172 3.4 25.6 1.0 CZ A:ARG172 3.7 40.8 1.0 NH1 A:ARG217 3.7 20.0 1.0 CD A:ARG172 3.7 32.3 1.0 NH2 A:ARG172 3.7 41.0 1.0 CD A:ARG217 3.7 17.8 1.0 CA A:LEU213 3.8 16.9 1.0 CB A:ARG217 3.8 14.3 1.0 CB A:GLU214 3.9 21.5 1.0 C A:LEU213 4.0 17.2 1.0 CG A:GLU214 4.0 26.5 1.0 CD2 A:LEU213 4.1 18.8 1.0 CA A:GLU214 4.2 17.2 1.0 CG A:ARG217 4.2 16.4 1.0 CB A:LEU213 4.2 16.7 1.0 CZ A:ARG217 4.3 19.0 1.0 NE A:ARG217 4.4 17.8 1.0 O A:GLY212 4.6 21.1 1.0 NH1 A:ARG172 4.7 42.4 1.0 O A:HOH800 4.8 45.6 1.0 CB A:ARG172 4.8 19.7 1.0 CG A:LEU213 4.8 15.5 1.0 O A:GLU214 4.9 16.3 1.0 N A:LEU213 5.0 16.4 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Rhizobium Etli L-Asparaginase Reaiv (R4MC-1)


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 Rhizobium Etli L-Asparaginase Reaiv (R4MC-1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:20.2 occ:1.00 O A:HOH781 3.0 28.1 1.0 NH1 A:ARG11 3.2 14.6 1.0 O A:HOH811 3.3 20.7 1.0 NH2 A:ARG11 3.3 14.5 1.0 CA B:GLY187 3.5 14.1 1.0 CZ A:ARG11 3.7 14.2 1.0 CB A:ASN318 3.8 12.6 1.0 CG2 A:VAL324 3.8 15.7 1.0 CA A:ASN318 4.0 13.4 1.0 N B:GLY187 4.0 13.4 1.0 NH2 B:ARG46 4.2 16.4 1.0 O B:HOH745 4.4 27.1 1.0 N A:ASN318 4.5 13.1 1.0 C B:ASP186 4.5 12.1 0.5 O A:ARG317 4.5 15.4 1.0 CG1 A:VAL324 4.6 15.6 1.0 C B:ASP186 4.6 12.3 0.5 CB A:VAL324 4.6 14.3 1.0 O B:ASP186 4.7 11.9 0.5 C A:ARG317 4.7 14.4 1.0 O B:ASP186 4.8 12.3 0.5 C B:GLY187 4.8 12.7 1.0 O A:HOH610 5.0 26.9 1.0 O B:GLY187 5.0 13.2 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Rhizobium Etli L-Asparaginase Reaiv (R4MC-1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Rhizobium Etli L-Asparaginase Reaiv (R4MC-1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:25.4 occ:1.00 N B:GLU214 3.2 20.9 1.0 CZ B:ARG172 3.6 42.6 1.0 NH2 B:ARG172 3.6 43.3 1.0 NH1 B:ARG217 3.7 20.3 1.0 CG B:ARG172 3.7 29.6 1.0 NE B:ARG172 3.7 39.3 1.0 CD B:ARG217 3.7 16.3 1.0 CA B:LEU213 3.8 20.6 1.0 CB B:GLU214 3.9 26.9 1.0 CB B:ARG217 3.9 15.6 1.0 CG B:GLU214 4.0 32.7 1.0 C B:LEU213 4.0 20.4 1.0 CD2 B:LEU213 4.1 19.9 1.0 NH1 B:ARG172 4.1 44.0 1.0 CA B:GLU214 4.1 22.8 1.0 CB B:LEU213 4.2 17.6 1.0 CG B:ARG217 4.2 16.5 1.0 CD B:ARG172 4.3 34.1 1.0 CZ B:ARG217 4.3 18.1 1.0 NE B:ARG217 4.3 16.2 1.0 O B:GLY212 4.5 26.8 1.0 O B:HOH798 4.5 44.3 1.0 CG B:LEU213 4.8 17.5 1.0 O B:GLU214 4.9 18.8 1.0 CB B:ARG172 5.0 23.9 1.0 N B:LEU213 5.0 20.9 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Rhizobium Etli L-Asparaginase Reaiv (R4MC-1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Rhizobium Etli L-Asparaginase Reaiv (R4MC-1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:19.8 occ:1.00 O B:HOH735 3.0 28.4 1.0 O A:HOH828 3.0 33.6 1.0 O B:HOH815 3.2 22.6 1.0 NH1 B:ARG11 3.3 13.9 1.0 NH2 B:ARG11 3.3 13.8 1.0 CA A:GLY187 3.6 13.2 1.0 CZ B:ARG11 3.7 13.6 1.0 CB B:ASN318 3.8 13.8 1.0 CG2 B:VAL324 3.8 15.6 1.0 CA B:ASN318 4.0 14.5 1.0 N A:GLY187 4.1 12.8 1.0 NH2 A:ARG46 4.2 14.9 1.0 O A:HOH673 4.2 29.5 1.0 O B:ARG317 4.5 14.9 1.0 N B:ASN318 4.5 13.9 1.0 C A:ASP186 4.5 12.5 0.5 CG1 B:VAL324 4.6 15.7 1.0 O A:ASP186 4.6 11.9 0.5 CB B:VAL324 4.7 13.6 1.0 C A:ASP186 4.7 12.7 0.5 C B:ARG317 4.7 14.4 1.0 C A:GLY187 4.8 14.0 1.0 O B:HOH608 4.9 26.8 1.0 O A:ASP186 4.9 12.1 0.5 O A:GLY187 5.0 14.0 1.0

J.I.Loch, P.Worsztynowicz, J.Sliwiak, M.Grzechowiak, B.Imiolczyk, K.Pokrywka, M.Chwastyk, M.Gilski, M.Jaskolski. Rhizobium Etli Has Two L-Asparaginases with Low Sequence Identity But Similar Structure and Catalytic Center. Acta Crystallogr D Struct V. 79 775 2023BIOL.
ISSN: ISSN 2059-7983
PubMed: 37494066
DOI: 10.1107/S2059798323005648