Chlorine in PDB 3ubk: Crystal Structure of Glutathione Transferase (Target Efi-501770) From Leptospira Interrogans

The structure of Crystal Structure of Glutathione Transferase (Target Efi-501770) From Leptospira Interrogans, PDB code: 3ubk 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 / 1.95
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.843, 82.843, 175.608, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 23.2

The binding sites of Chlorine atom in the Crystal Structure of Glutathione Transferase (Target Efi-501770) From Leptospira Interrogans (pdb code 3ubk). 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 Glutathione Transferase (Target Efi-501770) From Leptospira Interrogans, PDB code: 3ubk:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Glutathione Transferase (Target Efi-501770) From Leptospira Interrogans


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl245 b:47.0 occ:1.00 OG A:SER8 3.1 39.9 1.0 O A:HOH278 3.1 35.8 1.0 N A:SER8 3.2 36.2 1.0 NH1 A:ARG31 3.5 41.3 1.0 CD A:ARG31 3.6 54.8 1.0 CB A:SER8 3.6 34.9 1.0 NE2 A:GLN29 3.7 37.9 1.0 CG A:ARG31 3.8 55.8 1.0 CA A:ALA7 3.9 45.5 1.0 O A:HOH277 3.9 44.6 1.0 CA A:SER8 4.0 35.8 1.0 C A:ALA7 4.0 42.2 1.0 CD2 A:LEU206 4.1 38.8 1.0 CD A:GLN29 4.2 42.4 1.0 CB A:ARG31 4.2 51.0 1.0 CB A:ALA7 4.3 46.8 1.0 O3 A:GOL246 4.3 65.7 1.0 CZ A:ARG31 4.4 54.3 1.0 NE A:ARG31 4.5 54.1 1.0 OE1 A:GLN29 4.5 42.6 1.0 CB A:LEU206 4.8 38.4 1.0 O A:GLY6 4.9 36.3 1.0 CG A:LEU206 4.9 37.0 1.0 CG A:GLN29 4.9 40.9 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Glutathione Transferase (Target Efi-501770) From Leptospira Interrogans


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl248 b:82.8 occ:1.00 OG A:SER10 3.1 39.4 1.0 NH1 A:ARG106 3.3 71.0 1.0 ND2 A:ASN11 3.3 53.1 1.0 CB A:SER10 3.6 34.1 1.0 CA A:SER10 3.8 38.9 1.0 NH2 A:ARG106 3.9 64.7 1.0 CD1 A:TYR12 4.0 43.1 1.0 N A:ASN11 4.0 36.8 1.0 CZ A:ARG106 4.1 72.1 1.0 C A:SER10 4.4 41.4 1.0 CG A:ASN11 4.6 54.2 1.0 CE1 A:TYR12 4.7 42.4 1.0 N A:TYR12 4.7 36.0 1.0 O A:HOH324 4.9 47.2 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Glutathione Transferase (Target Efi-501770) From Leptospira Interrogans


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 Glutathione Transferase (Target Efi-501770) From Leptospira Interrogans within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl242 b:64.2 occ:1.00 NH2 B:ARG31 2.7 74.3 1.0 N B:SER8 3.0 34.4 1.0 CG B:ARG31 3.3 59.7 1.0 OG B:SER8 3.4 39.7 1.0 CD B:ARG31 3.4 64.1 1.0 CB B:SER8 3.5 34.9 1.0 CD2 B:LEU206 3.6 53.4 1.0 CA B:ALA7 3.7 40.8 1.0 CZ B:ARG31 3.8 74.0 1.0 CB B:ARG31 3.8 52.9 1.0 C B:ALA7 3.9 42.4 1.0 CA B:SER8 3.9 36.9 1.0 CB B:ALA7 3.9 43.8 1.0 NE B:ARG31 4.0 66.9 1.0 NE2 B:GLN29 4.2 38.7 1.0 CD1 B:LEU206 4.6 52.2 1.0 CG B:LEU206 4.6 52.4 1.0 CA B:ARG31 4.9 46.3 1.0 C B:SER8 4.9 37.4 1.0 CD B:GLN29 4.9 30.5 1.0 NH1 B:ARG31 4.9 60.9 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Glutathione Transferase (Target Efi-501770) From Leptospira Interrogans


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 Glutathione Transferase (Target Efi-501770) From Leptospira Interrogans within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl243 b:58.7 occ:1.00 NH1 B:ARG106 2.9 75.7 1.0 OG B:SER10 3.2 42.9 1.0 O B:HOH312 3.7 56.5 1.0 NH2 B:ARG106 3.7 68.9 1.0 CZ B:ARG106 3.7 76.7 1.0 N B:ASN11 3.8 39.4 1.0 CD1 B:TYR12 3.8 43.4 1.0 CB B:SER10 3.9 37.9 1.0 CA B:SER10 3.9 39.0 1.0 C B:SER10 4.3 36.9 1.0 N B:TYR12 4.4 31.7 1.0 CE1 B:TYR12 4.5 51.8 1.0 O B:HOH314 4.6 67.5 1.0 CB B:ASN11 4.7 37.4 1.0 CA B:ASN11 4.8 38.3 1.0 CG B:TYR12 4.8 39.8 1.0 CB B:TYR12 4.9 32.0 1.0 O B:HOH313 4.9 42.4 1.0 CG B:ASN11 5.0 48.2 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.