Chlorine in PDB 6rwd: Crystal Structure of Sjgst in Complex with Gsh and Ellagic Acid at 1.53 Angstrom Resolution

All present enzymatic activity of Crystal Structure of Sjgst in Complex with Gsh and Ellagic Acid at 1.53 Angstrom Resolution:
2.5.1.18;

The structure of Crystal Structure of Sjgst in Complex with Gsh and Ellagic Acid at 1.53 Angstrom Resolution, PDB code: 6rwd was solved by J.Olfsen, R.Pandian, Y.Sayed, H.W.Dirr, I.A.Achilonu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.86 / 1.53
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.440, 89.260, 91.720, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 21.6

The structure of Crystal Structure of Sjgst in Complex with Gsh and Ellagic Acid at 1.53 Angstrom Resolution also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Sjgst in Complex with Gsh and Ellagic Acid at 1.53 Angstrom Resolution (pdb code 6rwd). 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 Sjgst in Complex with Gsh and Ellagic Acid at 1.53 Angstrom Resolution, PDB code: 6rwd:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Sjgst in Complex with Gsh and Ellagic Acid at 1.53 Angstrom Resolution


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 Sjgst in Complex with Gsh and Ellagic Acid at 1.53 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:61.7 occ:1.00 NA A:NA302 2.4 68.7 1.0 NH2 A:ARG34 3.5 44.8 1.0 NH1 A:ARG34 3.5 39.5 1.0 CA A:GLY212 3.7 32.5 1.0 CZ A:ARG34 3.9 40.9 1.0 O A:HOH527 4.3 52.7 1.0 N A:ASP213 4.3 40.8 1.0 O A:HOH480 4.4 40.0 1.0 C A:GLY212 4.5 34.4 1.0 N A:GLY212 4.7 32.1 1.0 O A:HOH547 4.7 47.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Sjgst in Complex with Gsh and Ellagic Acid at 1.53 Angstrom Resolution


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 Sjgst in Complex with Gsh and Ellagic Acid at 1.53 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:69.8 occ:1.00 NA B:NA303 2.3 68.0 1.0 NH2 B:ARG34 3.1 46.2 1.0 NH1 B:ARG34 3.7 41.3 1.0 CZ B:ARG34 3.9 39.9 1.0 CA B:GLY212 4.2 37.0 1.0 O B:HOH523 4.3 49.4 1.0 O B:HOH469 4.6 57.8 1.0

O.Jessica, R.Pandian, Y.Sayed, H.W.Dirr, I.A.Achilonu. Molecular Basis of the Inhibition of Schistosoma Japonicum Glutathione Transferase By Ellagic Acid: Insights Into Structure and Biophysical Studies To Be Published.