Chlorine in PDB 5v4q: Crystal Structure of Human GGT1 in Complex with Don

All present enzymatic activity of Crystal Structure of Human GGT1 in Complex with Don:
2.3.2.2; 3.4.19.13; 3.4.19.14;

The structure of Crystal Structure of Human GGT1 in Complex with Don, PDB code: 5v4q was solved by S.Terzyan, M.Hanigan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.90 / 2.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	105.512, 127.345, 103.069, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 21.9

The structure of Crystal Structure of Human GGT1 in Complex with Don also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Human GGT1 in Complex with Don (pdb code 5v4q). 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 GGT1 in Complex with Don, PDB code: 5v4q:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human GGT1 in Complex with Don


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 GGT1 in Complex with Don within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl606 b:37.4 occ:1.00 NH2 B:ARG409 3.0 39.2 1.0 N A:LEU213 3.3 33.5 1.0 N A:GLN212 3.4 34.6 1.0 C A:LEU210 3.4 38.7 1.0 CA A:LEU210 3.5 38.0 1.0 CB A:GLN212 3.7 37.9 1.0 CB A:LEU210 3.7 36.5 1.0 N A:PRO211 3.7 42.6 1.0 OE1 A:GLN212 3.8 47.9 1.0 O A:LEU210 3.8 41.1 1.0 CA A:GLN212 3.8 34.9 1.0 CD A:PRO211 4.0 40.3 1.0 CB A:LEU213 4.0 38.0 1.0 CD2 A:LEU210 4.0 29.1 1.0 C A:GLN212 4.0 35.4 1.0 CZ B:ARG409 4.0 42.9 1.0 CG1 A:VAL194 4.0 44.7 1.0 CA B:GLY414 4.1 32.0 1.0 NE B:ARG409 4.1 42.0 1.0 CA A:LEU213 4.2 34.3 1.0 C A:PRO211 4.3 35.7 1.0 CG A:LEU213 4.4 41.8 1.0 CG A:LEU210 4.5 34.0 1.0 CD A:GLN212 4.5 44.5 1.0 CA A:PRO211 4.6 38.2 1.0 O B:GLY414 4.6 35.7 1.0 CG A:GLN212 4.7 41.2 1.0 C B:GLY414 4.9 33.7 1.0 N A:LEU210 4.9 38.6 1.0 CD1 A:LEU213 5.0 44.5 1.0 CB A:VAL194 5.0 43.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human GGT1 in Complex with Don


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 GGT1 in Complex with Don within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1103 b:54.7 occ:1.00 O B:HOH1216 2.9 44.1 1.0 NE2 B:GLN545 3.0 33.2 1.0 N B:HIS383 3.0 30.6 1.0 OD2 A:ASP46 3.1 59.1 1.0 CA B:ALA382 3.4 30.6 1.0 CB A:ASP46 3.6 50.8 1.0 CG A:ASP46 3.7 56.0 1.0 C B:ALA382 3.7 31.1 1.0 CB B:ALA472 3.7 30.9 1.0 O B:HIS383 3.8 29.5 1.0 CB B:ALA382 3.9 26.9 1.0 CG1 B:VAL543 3.9 30.3 1.0 NZ B:LYS562 4.0 50.5 1.0 O B:HOH1241 4.1 42.6 1.0 CA B:HIS383 4.1 31.9 1.0 CD B:GLN545 4.2 33.9 1.0 CB B:VAL543 4.3 34.4 1.0 CD B:LYS562 4.3 53.2 1.0 O B:THR381 4.4 30.8 1.0 C B:HIS383 4.4 30.6 1.0 CB B:HIS383 4.5 30.2 1.0 N B:ALA382 4.6 32.2 1.0 OE1 B:GLN545 4.6 36.1 1.0 OD1 A:ASP46 4.8 61.6 1.0 CE B:LYS562 4.8 48.3 1.0 O B:VAL543 4.9 36.5 1.0 O B:ALA382 4.9 32.2 1.0 CA A:ASP46 4.9 41.7 1.0 C B:THR381 4.9 33.9 1.0 CA B:ALA472 5.0 34.5 1.0

S.S.Terzyan, P.F.Cook, A.Heroux, M.H.Hanigan. Structure of 6-Diazo-5-Oxo-Norleucine-Bound Human Gamma-Glutamyl Transpeptidase 1, A Novel Mechanism of Inactivation. Protein Sci. V. 26 1196 2017.
ISSN: ESSN 1469-896X
PubMed: 28378915
DOI: 10.1002/PRO.3172