Chlorine in PDB 1pl2: Crystal Structure of Human Glutathione Transferase (Gst) A1-1 T68E Mutant in Complex with Decarboxy-Glutathione

All present enzymatic activity of Crystal Structure of Human Glutathione Transferase (Gst) A1-1 T68E Mutant in Complex with Decarboxy-Glutathione:
2.5.1.18;

The structure of Crystal Structure of Human Glutathione Transferase (Gst) A1-1 T68E Mutant in Complex with Decarboxy-Glutathione, PDB code: 1pl2 was solved by E.Grahn, E.Jakobsson, A.Gustafsson, L.Grehn, B.Olin, M.Wahlberg, D.Madsen, G.J.Kleywegt, B.Mannervik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.42 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	99.233, 90.695, 51.158, 90.00, 93.39, 90.00
R / Rfree (%)	16.1 / 20

The binding sites of Chlorine atom in the Crystal Structure of Human Glutathione Transferase (Gst) A1-1 T68E Mutant in Complex with Decarboxy-Glutathione (pdb code 1pl2). 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 Human Glutathione Transferase (Gst) A1-1 T68E Mutant in Complex with Decarboxy-Glutathione, PDB code: 1pl2:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human Glutathione Transferase (Gst) A1-1 T68E Mutant in Complex with Decarboxy-Glutathione


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 Human Glutathione Transferase (Gst) A1-1 T68E Mutant in Complex with Decarboxy-Glutathione within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:15.3 occ:1.00 N A:GLU68 3.1 8.0 1.0 O A:HOH722 3.1 18.5 1.0 O A:HOH669 3.2 12.3 1.0 CA1 A:ABY654 3.5 17.4 1.0 CG1 A:ABY654 3.6 15.3 1.0 CB A:GLU68 3.6 10.0 1.0 CD A:PRO56 3.6 11.1 0.5 CD A:PRO56 3.7 11.1 0.5 CB1 A:ABY654 3.8 16.0 1.0 CA A:GLN67 3.9 8.4 1.0 CA A:GLU68 3.9 9.0 1.0 C A:GLN67 4.0 7.8 1.0 N1 A:ABY654 4.1 17.5 1.0 CG A:PRO56 4.2 11.4 0.5 CD A:ARG15 4.2 15.1 1.0 CG A:PRO56 4.2 11.4 0.5 OE1 A:GLN67 4.3 11.9 1.0 N A:GLN67 4.4 8.2 1.0 N A:PRO56 4.5 10.1 1.0 CB A:ARG15 4.5 12.3 1.0 O B:HOH663 4.7 15.4 1.0 O A:VAL55 4.7 10.2 1.0 CB A:PRO56 4.8 10.5 1.0 CD1 A:ABY654 4.9 16.6 1.0 C A:VAL55 4.9 9.9 1.0 OE1 A:GLU68 4.9 14.4 1.0 CG A:ARG15 5.0 14.2 1.0 CD A:GLN67 5.0 9.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human Glutathione Transferase (Gst) A1-1 T68E Mutant in Complex with Decarboxy-Glutathione


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 Human Glutathione Transferase (Gst) A1-1 T68E Mutant in Complex with Decarboxy-Glutathione within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:15.4 occ:1.00 O B:HOH676 3.0 12.0 1.0 N B:GLU68 3.1 9.6 1.0 O B:HOH695 3.2 20.6 1.0 CA1 B:ABY655 3.5 19.9 1.0 CD B:PRO56 3.6 14.2 1.0 CG1 B:ABY655 3.6 17.4 1.0 CB B:GLU68 3.7 10.5 1.0 CB1 B:ABY655 3.8 17.5 1.0 CA B:GLN67 3.8 11.8 1.0 C B:GLN67 3.9 10.3 1.0 CA B:GLU68 4.0 9.1 1.0 CG B:PRO56 4.0 15.1 1.0 N1 B:ABY655 4.2 17.2 1.0 CD B:ARG15 4.2 18.8 1.0 OE1 B:GLN67 4.3 13.7 1.0 N B:GLN67 4.3 12.3 1.0 N B:PRO56 4.4 13.2 1.0 CB B:ARG15 4.5 14.8 1.0 O B:VAL55 4.6 14.2 1.0 CB B:PRO56 4.7 14.5 1.0 O A:HOH676 4.7 13.1 1.0 C B:VAL55 4.8 13.6 1.0 CD1 B:ABY655 4.9 16.8 1.0 CD B:GLN67 5.0 13.2 1.0 CG B:ARG15 5.0 16.1 1.0

E.Grahn, M.Novotny, E.Jakobsson, A.Gustafsson, L.Grehn, B.Olin, D.Madsen, M.Wahlberg, B.Mannervik, G.J.Kleywegt. New Crystal Structures of Human Glutathione Transferase A1-1 Shed Light on Glutathione Binding and the Conformation of the C-Terminal Helix. Acta Crystallogr.,Sect.D V. 62 197 2006.
ISSN: ISSN 0907-4449
PubMed: 16421451
DOI: 10.1107/S0907444905039296