Chlorine in PDB 9g67: Crystal Structure of Rhizobium Etli L-Asparaginase Reav K138H Mutant in Complex with L-Asn

The structure of Crystal Structure of Rhizobium Etli L-Asparaginase Reav K138H Mutant in Complex with L-Asn, PDB code: 9g67 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)	63.00 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.233, 91.687, 106.283, 90, 90, 90
R / Rfree (%)	17.5 / 21.6

The structure of Crystal Structure of Rhizobium Etli L-Asparaginase Reav K138H Mutant in Complex with L-Asn also contains other interesting chemical elements:

Cadmium

(Cd)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Rhizobium Etli L-Asparaginase Reav K138H Mutant in Complex with L-Asn (pdb code 9g67). 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 Rhizobium Etli L-Asparaginase Reav K138H Mutant in Complex with L-Asn, PDB code: 9g67:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Rhizobium Etli L-Asparaginase Reav K138H Mutant in Complex with L-Asn


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 K138H Mutant in Complex with L-Asn within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl508 b:44.7 occ:1.00 NH1 A:ARG12 3.3 23.4 1.0 OG1 A:THR341 3.3 29.4 1.0 NH2 A:ARG12 3.6 20.8 1.0 CB A:ASN335 3.7 33.2 1.0 CA A:ASN335 3.7 31.4 1.0 CA B:GLY188 3.8 29.6 1.0 CZ A:ARG12 3.9 26.2 1.0 N A:ASN335 4.1 30.9 1.0 N B:GLY188 4.1 24.8 1.0 CG2 A:THR341 4.1 26.6 1.0 CB A:THR341 4.2 27.7 1.0 O A:VAL334 4.2 36.8 1.0 C A:VAL334 4.3 35.0 1.0 O A:HOH795 4.4 42.5 1.0 C B:ASP187 4.6 23.8 1.0 O A:HOH723 4.6 25.6 1.0 O B:ASP187 4.7 24.8 1.0 N A:VAL334 4.9 32.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Rhizobium Etli L-Asparaginase Reav K138H Mutant in Complex with L-Asn


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 Reav K138H Mutant in Complex with L-Asn within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl410 b:43.7 occ:1.00 OG1 B:THR341 3.0 24.3 1.0 O B:HOH710 3.3 36.9 1.0 NH1 B:ARG12 3.4 22.6 1.0 CA B:ASN335 3.5 25.9 1.0 CB B:ASN335 3.6 25.7 1.0 N B:ASN335 3.8 30.8 1.0 NH2 B:ARG12 3.8 23.3 1.0 CA A:GLY188 3.9 26.6 1.0 C B:VAL334 4.0 32.0 1.0 CG2 B:THR341 4.0 26.8 1.0 CB B:THR341 4.1 23.1 1.0 CZ B:ARG12 4.1 27.5 1.0 O B:VAL334 4.1 30.6 1.0 O B:HOH704 4.2 42.7 1.0 N A:GLY188 4.3 24.3 1.0 N B:VAL334 4.6 29.2 1.0 O B:HOH662 4.6 26.3 1.0 C A:ASP187 4.8 25.7 1.0 CA B:VAL334 4.8 30.4 1.0 C B:ARG333 4.8 30.5 1.0 O A:ASP187 4.8 21.1 1.0 C B:ASN335 4.9 28.2 1.0 O B:ARG333 5.0 28.8 1.0

K.Pokrywka, M.Grzechowiak, J.Sliwiak, P.Worsztynowicz, J.I.Loch, M.Ruszkowski, M.Gilski, M.Jaskolski. Controlling Enzyme Activity By Mutagenesis and Metal Exchange to Obtain Crystal Structures of Stable Substrate Complexes of Class 3 L-Asparaginase. Febs J. 2025.
ISSN: ISSN 1742-464X
PubMed: 39754186
DOI: 10.1111/FEBS.17388