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

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

All present enzymatic activity of Human GSTO1-1 Complexed with 2-Chloro-N-(4-Chloro-3-(N- Isopropylsulfamoyl)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- Isopropylsulfamoyl)Phenyl)Acetamide, PDB code: 6pno 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) 40.50 / 1.82
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 57.260, 57.260, 139.991, 90.00, 90.00, 120.00
R / Rfree (%) 19.4 / 23.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human GSTO1-1 Complexed with 2-Chloro-N-(4-Chloro-3-(N- Isopropylsulfamoyl)Phenyl)Acetamide (pdb code 6pno). 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- Isopropylsulfamoyl)Phenyl)Acetamide, PDB code: 6pno:

Chlorine binding site 1 out of 1 in 6pno

Go back to Chlorine Binding Sites List in 6pno
Chlorine binding site 1 out of 1 in the Human GSTO1-1 Complexed with 2-Chloro-N-(4-Chloro-3-(N- Isopropylsulfamoyl)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- Isopropylsulfamoyl)Phenyl)Acetamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1001

b:50.0
occ:0.88
 CLA A:ORM1001 0.0 50.0 0.9
CAF A:ORM1001 1.6 41.8 0.9
CAA A:ORM1001 2.5 42.6 0.9
CAE A:ORM1001 2.6 42.7 0.9
NAL A:ORM1001 3.1 48.6 0.9
SAI A:ORM1001 3.2 43.2 0.9
OAK A:ORM1001 3.2 45.3 0.9
CAO A:ORM1001 3.4 55.2 0.9
CA A:GLY128 3.4 26.1 0.5
CAM A:ORM1001 3.7 53.4 0.9
O A:HOH1104 3.8 29.1 1.0
CAB A:ORM1001 3.8 39.0 0.9
CAD A:ORM1001 3.8 39.3 0.9
N A:GLY128 4.2 25.0 0.5
CAC A:ORM1001 4.3 38.9 0.9
CG1 A:VAL127 4.3 28.5 0.5
CAN A:ORM1001 4.4 53.7 0.9
N A:GLY128 4.4 31.0 0.5
CB A:VAL127 4.6 28.1 0.5
C A:GLY128 4.6 27.6 0.5
OAJ A:ORM1001 4.6 41.8 0.9
O A:PRO124 4.7 25.6 1.0
C A:VAL127 4.7 30.4 0.5
CA A:GLY128 4.8 32.1 0.5
O A:GLY128 4.8 28.8 0.5

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 13:25:57 2024

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