Chlorine in PDB 4zbk: Crystal Structure of Human GGT1 in Complex with Ggstop Inhibitor

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

The structure of Crystal Structure of Human GGT1 in Complex with Ggstop Inhibitor, PDB code: 4zbk 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)	47.13 / 2.18
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	105.702, 123.551, 104.189, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 21.8

The structure of Crystal Structure of Human GGT1 in Complex with Ggstop Inhibitor 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 Ggstop Inhibitor (pdb code 4zbk). 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 Ggstop Inhibitor, PDB code: 4zbk:
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 Ggstop Inhibitor


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 Ggstop Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl608 b:32.6 occ:1.00 O B:HOH1228 3.0 25.9 1.0 NH2 B:ARG409 3.2 33.7 1.0 N A:GLN212 3.2 35.0 1.0 N A:LEU213 3.3 31.2 1.0 C A:LEU210 3.4 33.7 1.0 CA A:LEU210 3.5 32.2 1.0 N A:PRO211 3.6 32.6 1.0 CB A:GLN212 3.7 33.0 1.0 CB A:LEU210 3.7 32.1 1.0 CA A:GLN212 3.7 31.6 1.0 OE1 A:GLN212 3.8 42.3 1.0 O A:LEU210 3.8 33.2 1.0 CD A:PRO211 3.8 31.5 1.0 CG1 A:VAL194 3.9 35.3 1.0 C A:GLN212 4.0 31.9 1.0 CD2 A:LEU210 4.0 31.5 1.0 CA B:GLY414 4.1 31.6 1.0 CB A:LEU213 4.1 28.7 1.0 CZ B:ARG409 4.2 34.1 1.0 NE B:ARG409 4.2 32.9 1.0 C A:PRO211 4.2 32.5 1.0 CA A:LEU213 4.3 29.4 1.0 CG A:LEU213 4.3 30.6 1.0 CG A:LEU210 4.5 33.5 1.0 CA A:PRO211 4.5 33.1 1.0 CD A:GLN212 4.5 40.0 1.0 CG A:GLN212 4.7 37.1 1.0 O B:GLY414 4.7 32.8 1.0 CG A:PRO211 4.8 29.4 1.0 N A:LEU210 4.9 34.4 1.0 C B:GLY414 4.9 32.5 1.0 CB A:VAL194 4.9 38.8 1.0 CD1 A:LEU213 5.0 29.7 1.0

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


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 Ggstop Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1103 b:67.0 occ:1.00 N B:HIS383 2.9 26.0 1.0 NE2 B:GLN545 2.9 28.7 1.0 O B:HOH1254 3.0 42.5 1.0 OD2 A:ASP46 3.4 41.7 1.0 CA B:ALA382 3.5 25.4 1.0 CG1 B:VAL543 3.6 30.8 1.0 C B:ALA382 3.6 26.9 1.0 CB B:ALA472 3.7 26.4 1.0 CA B:HIS383 3.8 27.5 1.0 O B:HIS383 3.9 27.4 1.0 CB A:ASP46 3.9 39.0 1.0 CG A:ASP46 4.0 40.4 1.0 CB B:HIS383 4.0 25.1 1.0 CB B:VAL543 4.0 31.1 1.0 O B:THR381 4.0 27.8 1.0 CD B:GLN545 4.1 30.4 1.0 O B:VAL543 4.1 32.6 1.0 C B:HIS383 4.3 29.5 1.0 CB B:ALA382 4.3 23.5 1.0 N B:ALA382 4.5 28.2 1.0 N B:ALA472 4.5 25.4 1.0 OE1 B:GLN545 4.6 30.6 1.0 C B:THR381 4.6 29.7 1.0 CD B:LYS562 4.7 52.2 1.0 C B:VAL543 4.7 31.8 1.0 NZ B:LYS562 4.7 51.4 1.0 CA B:ALA472 4.8 27.9 1.0 O B:ALA382 4.8 29.2 1.0 O B:HOH1261 4.9 35.1 1.0

S.S.Terzyan, A.W.Burgett, A.Heroux, C.A.Smith, B.H.Mooers, M.H.Hanigan. Human Gamma-Glutamyl Transpeptidase 1: Structures of the Free Enzyme, Inhibitor-Bound Tetrahedral Transition States, and Glutamate-Bound Enzyme Reveal Novel Movement Within the Active Site During Catalysis. J.Biol.Chem. V. 290 17576 2015.
ISSN: ESSN 1083-351X
PubMed: 26013825
DOI: 10.1074/JBC.M115.659680