Chlorine in PDB 7lbc: Structure of Human GGT1 in Complex with LNT2-65 Compound

All present enzymatic activity of Structure of Human GGT1 in Complex with LNT2-65 Compound:
2.3.2.2; 3.4.19.13; 3.4.19.14;

The structure of Structure of Human GGT1 in Complex with LNT2-65 Compound, PDB code: 7lbc 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)	79.87 / 2.28
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	105.216, 122.681, 102.507, 90, 90, 90
R / Rfree (%)	24.9 / 30.6

The binding sites of Chlorine atom in the Structure of Human GGT1 in Complex with LNT2-65 Compound (pdb code 7lbc). 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 LNT2-65 Compound, PDB code: 7lbc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Human GGT1 in Complex with LNT2-65 Compound


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 LNT2-65 Compound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl605 b:47.3 occ:1.00 N A:LEU213 3.1 47.7 1.0 N A:GLN212 3.2 45.3 1.0 O B:HOH1210 3.2 34.6 1.0 C A:LEU210 3.2 46.8 1.0 O A:LEU210 3.4 45.9 1.0 CA A:LEU210 3.5 48.5 1.0 NH2 B:ARG409 3.5 43.0 1.0 N A:PRO211 3.6 47.0 1.0 CB A:LEU210 3.6 50.0 1.0 CB A:GLN212 3.6 47.1 1.0 CD2 A:LEU210 3.6 50.7 1.0 CA A:GLN212 3.7 47.1 1.0 CD A:PRO211 3.7 47.6 1.0 CB A:LEU213 3.8 44.2 1.0 OE1 A:GLN212 3.8 51.9 1.0 C A:GLN212 3.8 48.8 1.0 CG1 A:VAL194 3.9 52.0 1.0 CA A:LEU213 4.0 44.8 1.0 CG A:LEU213 4.1 43.0 1.0 C A:PRO211 4.1 46.4 1.0 CA B:GLY414 4.2 41.9 1.0 NE B:ARG409 4.2 42.5 1.0 CG A:LEU210 4.3 50.8 1.0 CZ B:ARG409 4.3 42.5 1.0 CA A:PRO211 4.4 46.4 1.0 CD1 A:LEU213 4.5 38.5 1.0 CD A:GLN212 4.6 47.3 1.0 CG A:GLN212 4.7 46.1 1.0 O B:GLY414 4.7 43.0 1.0 N A:LEU210 4.9 45.6 1.0 C B:GLY414 4.9 42.7 1.0 CB A:VAL194 4.9 51.3 1.0

Chlorine binding site 2 out of 2 in the Structure of Human GGT1 in Complex with LNT2-65 Compound


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 LNT2-65 Compound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1102 b:89.1 occ:1.00 N B:HIS383 2.9 37.5 1.0 OD2 A:ASP46 3.0 31.2 1.0 NE2 B:GLN545 3.2 37.0 1.0 CA B:ALA382 3.3 33.2 1.0 O B:HOH1205 3.4 30.8 1.0 C B:ALA382 3.6 36.7 1.0 CG1 B:VAL543 3.6 31.7 1.0 O B:HIS383 3.6 39.9 1.0 CB B:ALA472 3.7 43.9 1.0 CG A:ASP46 3.8 33.1 1.0 CB A:ASP46 3.9 33.4 1.0 CA B:HIS383 3.9 40.5 1.0 CB B:ALA382 3.9 32.2 1.0 O B:THR381 4.0 29.4 1.0 CB B:VAL543 4.0 34.3 1.0 C B:HIS383 4.2 40.8 1.0 CB B:HIS383 4.3 41.0 1.0 N B:ALA382 4.3 34.0 1.0 CD B:GLN545 4.4 39.1 1.0 O B:VAL543 4.4 35.5 1.0 O A:HOH736 4.4 34.7 1.0 NZ B:LYS562 4.4 27.6 1.0 CD B:LYS562 4.5 27.4 1.0 C B:THR381 4.6 34.0 1.0 O B:ALA382 4.8 34.5 1.0 OE1 B:GLN545 4.8 37.8 1.0 CA B:ALA472 4.9 43.2 1.0 N B:ALA472 4.9 41.8 1.0 CG2 B:VAL543 4.9 31.8 1.0 C B:VAL543 4.9 35.7 1.0

S.S.Terzyan, M.Hanigan. Structure of Human GGT1 in Complex with LNT2-65 Compound To Be Published.