Atomistry » Chlorine » PDB 6pil-6pr3 » 6pnn
Atomistry »
  Chlorine »
    PDB 6pil-6pr3 »
      6pnn »

Chlorine in PDB 6pnn: Human GSTO1-1 Complexed with 2-Chloro-N-(4-Chloro-3-(N-(2- Methoxyethyl)-N-Methylsulfamoyl)Phenyl)Acetamide

Enzymatic activity of Human GSTO1-1 Complexed with 2-Chloro-N-(4-Chloro-3-(N-(2- Methoxyethyl)-N-Methylsulfamoyl)Phenyl)Acetamide

All present enzymatic activity of Human GSTO1-1 Complexed with 2-Chloro-N-(4-Chloro-3-(N-(2- Methoxyethyl)-N-Methylsulfamoyl)Phenyl)Acetamide:
1.20.4.2; 1.8.5.1; 2.5.1.18;

Protein crystallography data

The structure of Human GSTO1-1 Complexed with 2-Chloro-N-(4-Chloro-3-(N-(2- Methoxyethyl)-N-Methylsulfamoyl)Phenyl)Acetamide, PDB code: 6pnn was solved by A.J.Oakley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.42 / 2.10
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 57.160, 57.160, 139.660, 90.00, 90.00, 120.00
R / Rfree (%) 16.8 / 21

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human GSTO1-1 Complexed with 2-Chloro-N-(4-Chloro-3-(N-(2- Methoxyethyl)-N-Methylsulfamoyl)Phenyl)Acetamide (pdb code 6pnn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Human GSTO1-1 Complexed with 2-Chloro-N-(4-Chloro-3-(N-(2- Methoxyethyl)-N-Methylsulfamoyl)Phenyl)Acetamide, PDB code: 6pnn:

Chlorine binding site 1 out of 1 in 6pnn

Go back to Chlorine Binding Sites List in 6pnn
Chlorine binding site 1 out of 1 in the Human GSTO1-1 Complexed with 2-Chloro-N-(4-Chloro-3-(N-(2- Methoxyethyl)-N-Methylsulfamoyl)Phenyl)Acetamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human GSTO1-1 Complexed with 2-Chloro-N-(4-Chloro-3-(N-(2- Methoxyethyl)-N-Methylsulfamoyl)Phenyl)Acetamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl904

b:72.7
occ:0.85
 CLA A:OR7904 0.0 72.7 0.8
CAK A:OR7904 1.7 61.0 0.8
CAJ A:OR7904 2.6 58.9 0.8
CAI A:OR7904 2.7 57.5 0.8
CAQ A:OR7904 3.2 66.6 0.8
OAN A:OR7904 3.2 58.6 0.8
SAM A:OR7904 3.3 59.4 0.8
CA A:GLY128 3.5 48.3 1.0
NAP A:OR7904 3.8 65.3 0.8
CAH A:OR7904 3.9 53.3 0.8
N A:GLY128 3.9 48.3 1.0
CAG A:OR7904 4.0 52.7 0.8
O A:HOH1085 4.1 23.9 1.0
CAF A:OR7904 4.5 48.7 0.8
C A:GLY128 4.8 49.3 1.0
OAO A:OR7904 4.8 58.2 0.8
C A:VAL127 4.9 46.1 1.0
O A:PRO124 4.9 25.6 1.0

Reference:

Y.Xie, P.Tummala, A.J.Oakley, G.S.Deora, M.Rooke, M.E.Cuellar, J.M.Strasser, J.L.Dahlin, M.A.Walters, M.G.Casarotto, P.G.Board, J.B.Baell. Development of Benzenesulfonamide Derivatives As Potent Glutathione Transferase Omega-1 Inhibitors To Be Published.
Page generated: Mon Jul 29 13:25:28 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy