Chlorine in PDB 3ubl: Crystal Structure of Glutathione Transferase (Target Efi-501770) From Leptospira Interrogans with Gsh Bound

The structure of Crystal Structure of Glutathione Transferase (Target Efi-501770) From Leptospira Interrogans with Gsh Bound, PDB code: 3ubl was solved by Y.Patskovsky, R.Toro, R.Bhosle, W.D.Zencheck, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, H.J.Imker, R.N.Armstrong, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.00
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.591, 82.591, 175.701, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 23.5

The binding sites of Chlorine atom in the Crystal Structure of Glutathione Transferase (Target Efi-501770) From Leptospira Interrogans with Gsh Bound (pdb code 3ubl). 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 Glutathione Transferase (Target Efi-501770) From Leptospira Interrogans with Gsh Bound, PDB code: 3ubl:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Glutathione Transferase (Target Efi-501770) From Leptospira Interrogans with Gsh Bound


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 Glutathione Transferase (Target Efi-501770) From Leptospira Interrogans with Gsh Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl246 b:54.2 occ:1.00 OG A:SER8 3.1 45.8 1.0 N A:SER8 3.1 44.7 1.0 O A:HOH280 3.2 44.5 1.0 NH1 A:ARG31 3.4 53.4 1.0 CB A:SER8 3.5 43.9 1.0 CD A:ARG31 3.6 54.9 1.0 NE2 A:GLN29 3.7 42.3 1.0 CG A:ARG31 3.8 60.9 1.0 CD2 A:LEU206 3.9 45.5 1.0 O A:HOH279 3.9 53.3 1.0 CA A:ALA7 3.9 53.3 1.0 CA A:SER8 3.9 44.6 1.0 C A:ALA7 4.0 50.8 1.0 CB A:ARG31 4.1 59.0 1.0 CD A:GLN29 4.2 46.2 1.0 CB A:ALA7 4.2 50.0 1.0 OE1 A:GLN29 4.4 46.1 1.0 CZ A:ARG31 4.4 62.2 1.0 NE A:ARG31 4.5 59.1 1.0 O3 A:GOL247 4.6 79.0 1.0 CB A:LEU206 4.7 38.0 1.0 CG A:LEU206 4.8 41.6 1.0 CA A:ARG31 4.9 55.3 1.0 O A:GLY6 5.0 42.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Glutathione Transferase (Target Efi-501770) From Leptospira Interrogans with Gsh Bound


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 Glutathione Transferase (Target Efi-501770) From Leptospira Interrogans with Gsh Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl244 b:63.8 occ:1.00 O B:HOH312 2.4 64.9 1.0 NE B:ARG31 3.0 84.5 1.0 N B:SER8 3.0 41.2 1.0 CD B:ARG31 3.2 81.2 1.0 OG B:SER8 3.5 44.1 1.0 CG B:ARG31 3.5 71.3 1.0 CB B:SER8 3.5 41.6 1.0 CA B:ALA7 3.6 43.2 1.0 CB B:ALA7 3.7 46.1 1.0 CD2 B:LEU206 3.7 63.4 1.0 C B:ALA7 3.8 47.7 1.0 CA B:SER8 3.9 43.3 1.0 CB B:ARG31 3.9 56.3 1.0 NE2 B:GLN29 4.1 43.9 1.0 CZ B:ARG31 4.1 80.3 1.0 O B:HOH309 4.4 61.7 1.0 NH2 B:ARG31 4.6 59.3 1.0 CA B:ARG31 4.7 51.8 1.0 CD B:GLN29 4.8 42.4 1.0 C B:SER8 4.9 44.4 1.0 CG B:LEU206 4.9 66.7 1.0 N B:ILE9 5.0 43.6 1.0 N B:ALA7 5.0 39.2 1.0

Y.Patskovsky, R.Toro, R.Bhosle, W.D.Zencheck, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, H.J.Imker, R.N.Armstrong, J.A.Gerlt, S.C.Almo. Crystal Structure of Glutathione S-Transferase From Leptospira Interrogans To Be Published.