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Chlorine in PDB 6xpb: Structure of Human GGT1 in Complex with 2-Amino-4-(((1- ((Carboxymethyl)Amino)-1-Oxobutan-2-Yl)Oxy)(Phenoxy)Phosphoryl) Butanoic Acid (Acpb) Molecule

Enzymatic activity of Structure of Human GGT1 in Complex with 2-Amino-4-(((1- ((Carboxymethyl)Amino)-1-Oxobutan-2-Yl)Oxy)(Phenoxy)Phosphoryl) Butanoic Acid (Acpb) Molecule

All present enzymatic activity of Structure of Human GGT1 in Complex with 2-Amino-4-(((1- ((Carboxymethyl)Amino)-1-Oxobutan-2-Yl)Oxy)(Phenoxy)Phosphoryl) Butanoic Acid (Acpb) Molecule:
2.3.2.2; 3.4.19.13; 3.4.19.14;

Protein crystallography data

The structure of Structure of Human GGT1 in Complex with 2-Amino-4-(((1- ((Carboxymethyl)Amino)-1-Oxobutan-2-Yl)Oxy)(Phenoxy)Phosphoryl) Butanoic Acid (Acpb) Molecule, PDB code: 6xpb was solved by S.S.Terzyan, M.H.Hanigan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.37 / 1.74
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 106.362, 124.218, 104.232, 90.00, 90.00, 90.00
R / Rfree (%) 15.3 / 18.9

Other elements in 6xpb:

The structure of Structure of Human GGT1 in Complex with 2-Amino-4-(((1- ((Carboxymethyl)Amino)-1-Oxobutan-2-Yl)Oxy)(Phenoxy)Phosphoryl) Butanoic Acid (Acpb) Molecule also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Human GGT1 in Complex with 2-Amino-4-(((1- ((Carboxymethyl)Amino)-1-Oxobutan-2-Yl)Oxy)(Phenoxy)Phosphoryl) Butanoic Acid (Acpb) Molecule (pdb code 6xpb). 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 2-Amino-4-(((1- ((Carboxymethyl)Amino)-1-Oxobutan-2-Yl)Oxy)(Phenoxy)Phosphoryl) Butanoic Acid (Acpb) Molecule, PDB code: 6xpb:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6xpb

Go back to Chlorine Binding Sites List in 6xpb
Chlorine binding site 1 out of 2 in the Structure of Human GGT1 in Complex with 2-Amino-4-(((1- ((Carboxymethyl)Amino)-1-Oxobutan-2-Yl)Oxy)(Phenoxy)Phosphoryl) Butanoic Acid (Acpb) 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 2-Amino-4-(((1- ((Carboxymethyl)Amino)-1-Oxobutan-2-Yl)Oxy)(Phenoxy)Phosphoryl) Butanoic Acid (Acpb) Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl606

b:19.1
occ:1.00
 O B:HOH1268 3.1 16.1 1.0
NH2 B:ARG409 3.2 17.9 1.0
N A:LEU213 3.2 14.6 1.0
C A:LEU210 3.3 16.7 1.0
N A:GLN212 3.3 16.3 1.0
CA A:LEU210 3.4 16.3 1.0
N A:PRO211 3.6 17.6 1.0
CB A:GLN212 3.7 16.7 1.0
CB A:LEU210 3.8 16.7 1.0
O A:LEU210 3.8 15.7 1.0
CA A:GLN212 3.8 16.0 1.0
CD2 A:LEU210 3.9 17.2 1.0
CD A:PRO211 3.9 19.6 1.0
OE1 A:GLN212 3.9 23.8 1.0
CG1 A:VAL194 3.9 23.5 1.0
CB A:LEU213 3.9 15.7 0.5
C A:GLN212 4.0 15.0 1.0
CB A:LEU213 4.0 14.6 0.5
CG A:LEU213 4.1 13.8 0.5
CA B:GLY414 4.1 13.6 1.0
CZ B:ARG409 4.2 18.0 1.0
CA A:LEU213 4.2 14.9 0.5
CA A:LEU213 4.2 14.6 0.5
NE B:ARG409 4.2 17.8 1.0
C A:PRO211 4.3 17.0 1.0
CG A:LEU210 4.5 17.4 1.0
CA A:PRO211 4.5 18.6 1.0
CD1 A:LEU213 4.6 13.0 0.5
CD A:GLN212 4.6 22.5 1.0
O B:GLY414 4.7 14.4 1.0
CG A:GLN212 4.8 20.1 1.0
N A:LEU210 4.8 16.0 1.0
CG A:PRO211 4.9 21.4 1.0
CB A:VAL194 4.9 23.4 1.0
C B:GLY414 4.9 14.0 1.0

Chlorine binding site 2 out of 2 in 6xpb

Go back to Chlorine Binding Sites List in 6xpb
Chlorine binding site 2 out of 2 in the Structure of Human GGT1 in Complex with 2-Amino-4-(((1- ((Carboxymethyl)Amino)-1-Oxobutan-2-Yl)Oxy)(Phenoxy)Phosphoryl) Butanoic Acid (Acpb) 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 2-Amino-4-(((1- ((Carboxymethyl)Amino)-1-Oxobutan-2-Yl)Oxy)(Phenoxy)Phosphoryl) Butanoic Acid (Acpb) Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl603

b:42.6
occ:1.00
 O A:HOH900 2.3 33.3 1.0
NE2 B:GLN545 2.9 17.6 1.0
N B:HIS383 3.0 13.3 1.0
OD2 A:ASP46 3.2 30.6 1.0
CA B:ALA382 3.4 13.6 1.0
CB A:ASP46 3.6 22.3 1.0
C B:ALA382 3.7 14.2 1.0
CG A:ASP46 3.8 27.1 1.0
O B:HIS383 3.8 14.5 1.0
CG1 B:VAL543 3.9 14.6 1.0
O B:THR381 3.9 14.7 1.0
CA B:HIS383 4.0 13.0 1.0
O A:HOH784 4.0 23.1 1.0
CB B:ALA472 4.0 13.2 1.0
CB B:ALA382 4.2 14.6 1.0
CD B:GLN545 4.2 17.4 1.0
CB B:VAL543 4.3 14.1 1.0
CB B:HIS383 4.3 12.7 1.0
C B:HIS383 4.4 13.7 1.0
N B:ALA382 4.5 13.1 1.0
O B:HOH1343 4.6 43.1 1.0
C B:THR381 4.6 13.6 1.0
O B:VAL543 4.6 14.6 1.0
O A:HOH718 4.6 25.6 1.0
OE1 B:GLN545 4.7 18.2 1.0
CA A:ASP46 4.9 19.4 1.0
O B:ALA382 4.9 13.0 1.0
N B:ALA472 4.9 12.5 1.0
OD1 A:ASP46 4.9 28.2 1.0

Reference:

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
Page generated: Mon Jul 29 17:18:14 2024

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