Chlorine in PDB 6xpc: Structure of Human GGT1 in Complex with Full Gsh Molecule

All present enzymatic activity of Structure of Human GGT1 in Complex with Full Gsh Molecule:
2.3.2.2; 3.4.19.13; 3.4.19.14;

The structure of Structure of Human GGT1 in Complex with Full Gsh Molecule, PDB code: 6xpc was solved by S.S.Terzyan, M.Hanigan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.96 / 2.26
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	105.395, 124.679, 104.989, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 21

The structure of Structure of Human GGT1 in Complex with Full Gsh Molecule also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Structure of Human GGT1 in Complex with Full Gsh Molecule (pdb code 6xpc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Human GGT1 in Complex with Full Gsh Molecule, PDB code: 6xpc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Human GGT1 in Complex with Full Gsh Molecule


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human GGT1 in Complex with Full Gsh Molecule within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl606 b:13.9 occ:1.00 NH2 B:ARG409 3.1 41.8 1.0 O B:HOH1210 3.1 32.3 1.0 C A:LEU210 3.3 34.6 1.0 N A:LEU213 3.3 32.7 1.0 N A:GLN212 3.3 36.1 1.0 CA A:LEU210 3.3 35.5 1.0 CB A:GLN212 3.5 36.7 1.0 N A:PRO211 3.6 33.7 1.0 CB A:LEU210 3.6 37.1 1.0 O A:LEU210 3.7 34.4 1.0 CA A:GLN212 3.8 34.9 1.0 CD A:PRO211 3.9 31.9 1.0 CG1 A:VAL194 4.0 34.3 1.0 C A:GLN212 4.0 34.7 1.0 CZ B:ARG409 4.0 37.8 1.0 CD2 A:LEU210 4.1 32.8 1.0 CB A:LEU213 4.1 33.4 1.0 OE1 A:GLN212 4.1 45.1 1.0 CA B:GLY414 4.1 31.8 1.0 NE B:ARG409 4.2 35.7 1.0 C A:PRO211 4.2 33.8 1.0 CA A:LEU213 4.3 32.9 1.0 CG A:LEU210 4.4 34.9 1.0 CG A:LEU213 4.5 36.9 1.0 CA A:PRO211 4.5 33.7 1.0 CG A:GLN212 4.6 40.3 1.0 CD A:GLN212 4.7 42.2 1.0 O B:GLY414 4.7 36.5 1.0 N A:LEU210 4.7 36.9 1.0 CG A:PRO211 4.8 33.6 1.0 C B:GLY414 4.9 33.6 1.0 CB A:VAL194 4.9 35.8 1.0 CD1 A:LEU213 5.0 36.3 1.0

Chlorine binding site 2 out of 2 in the Structure of Human GGT1 in Complex with Full Gsh Molecule


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Human GGT1 in Complex with Full Gsh Molecule within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1102 b:36.3 occ:1.00 OD2 A:ASP46 2.9 53.1 1.0 O B:HOH1213 2.9 45.2 1.0 N B:HIS383 3.1 29.5 1.0 NE2 B:GLN545 3.1 32.6 1.0 CA B:ALA382 3.4 30.3 1.0 CG1 B:VAL543 3.5 29.6 1.0 CB B:ALA472 3.6 32.5 1.0 CG A:ASP46 3.7 49.6 1.0 C B:ALA382 3.8 30.5 1.0 CB A:ASP46 3.8 46.2 1.0 CB B:VAL543 3.9 31.0 1.0 CB B:ALA382 4.0 29.0 1.0 NZ B:LYS562 4.0 40.3 1.0 O B:HIS383 4.1 30.8 1.0 CD B:LYS562 4.1 41.7 1.0 O B:THR381 4.1 32.5 0.5 CA B:HIS383 4.2 29.3 1.0 CD B:GLN545 4.3 30.7 1.0 O B:VAL543 4.3 33.2 1.0 O B:THR381 4.4 31.5 0.5 N B:ALA382 4.5 32.3 1.0 CB B:HIS383 4.5 27.4 1.0 C B:HIS383 4.7 30.6 1.0 CE B:LYS562 4.7 41.6 1.0 C B:THR381 4.7 31.8 0.5 OE1 B:GLN545 4.7 30.7 1.0 O B:HOH1212 4.8 36.7 1.0 OD1 A:ASP46 4.8 49.3 1.0 N B:ALA472 4.8 30.7 1.0 CA B:ALA472 4.8 32.3 1.0 C B:THR381 4.8 33.1 0.5 C B:VAL543 4.8 32.7 1.0 CG2 B:VAL543 4.9 30.4 1.0 O B:ALA382 5.0 31.9 1.0

S.S.Terzyan, L.T.Nguyen, A.W.G.Burgett, A.Heroux, C.A.Smith, Y.You, M.H.Hanigan. Crystal Structures of Glutathione- and Inhibitor-Bound Human GGT1: Critical Interactions Within the Cysteinylglycine Binding Site. J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X
PubMed: 33187988
DOI: 10.1074/JBC.RA120.016265