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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

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