Atomistry » Chlorine » PDB 6af5-6aq4 » 6aog
Atomistry »
  Chlorine »
    PDB 6af5-6aq4 »
      6aog »

Chlorine in PDB 6aog: Crystal Structure of Toxoplasma Gondii Ts-Dhfr Complexed with Nadph, Dump, Pddf, and 5-(4-Chlorophenyl)-6-Ethylpyrimidine-2,4-Diamine (Pyrimethamine)

Enzymatic activity of Crystal Structure of Toxoplasma Gondii Ts-Dhfr Complexed with Nadph, Dump, Pddf, and 5-(4-Chlorophenyl)-6-Ethylpyrimidine-2,4-Diamine (Pyrimethamine)

All present enzymatic activity of Crystal Structure of Toxoplasma Gondii Ts-Dhfr Complexed with Nadph, Dump, Pddf, and 5-(4-Chlorophenyl)-6-Ethylpyrimidine-2,4-Diamine (Pyrimethamine):
1.5.1.3; 2.1.1.45;

Protein crystallography data

The structure of Crystal Structure of Toxoplasma Gondii Ts-Dhfr Complexed with Nadph, Dump, Pddf, and 5-(4-Chlorophenyl)-6-Ethylpyrimidine-2,4-Diamine (Pyrimethamine), PDB code: 6aog was solved by S.B.Thomas, Y.Li, Z.Chen, H.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 3.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 53.589, 144.916, 176.044, 90.00, 90.00, 90.00
R / Rfree (%) 24 / 27.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Toxoplasma Gondii Ts-Dhfr Complexed with Nadph, Dump, Pddf, and 5-(4-Chlorophenyl)-6-Ethylpyrimidine-2,4-Diamine (Pyrimethamine) (pdb code 6aog). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Toxoplasma Gondii Ts-Dhfr Complexed with Nadph, Dump, Pddf, and 5-(4-Chlorophenyl)-6-Ethylpyrimidine-2,4-Diamine (Pyrimethamine), PDB code: 6aog:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6aog

Go back to Chlorine Binding Sites List in 6aog
Chlorine binding site 1 out of 2 in the Crystal Structure of Toxoplasma Gondii Ts-Dhfr Complexed with Nadph, Dump, Pddf, and 5-(4-Chlorophenyl)-6-Ethylpyrimidine-2,4-Diamine (Pyrimethamine)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Toxoplasma Gondii Ts-Dhfr Complexed with Nadph, Dump, Pddf, and 5-(4-Chlorophenyl)-6-Ethylpyrimidine-2,4-Diamine (Pyrimethamine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl704

b:26.1
occ:1.00
 CL1 A:CP6704 0.0 26.1 1.0
C10 A:CP6704 1.8 25.1 1.0
C9 A:CP6704 2.7 24.9 1.0
C11 A:CP6704 2.8 25.1 1.0
CG2 A:THR83 3.8 62.4 1.0
O A:THR83 3.9 64.9 1.0
SD A:MET87 3.9 79.1 1.0
C8 A:CP6704 4.1 24.7 1.0
C12 A:CP6704 4.1 24.8 1.0
CG A:MET87 4.2 80.2 1.0
CB A:MET87 4.3 80.5 1.0
OG A:SER86 4.4 82.8 1.0
C5N A:NDP702 4.5 51.7 1.0
C7 A:CP6704 4.6 24.5 1.0
C A:THR83 4.8 65.4 1.0
CA A:MET87 4.8 80.1 1.0
C6N A:NDP702 4.9 51.3 1.0

Chlorine binding site 2 out of 2 in 6aog

Go back to Chlorine Binding Sites List in 6aog
Chlorine binding site 2 out of 2 in the Crystal Structure of Toxoplasma Gondii Ts-Dhfr Complexed with Nadph, Dump, Pddf, and 5-(4-Chlorophenyl)-6-Ethylpyrimidine-2,4-Diamine (Pyrimethamine)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Toxoplasma Gondii Ts-Dhfr Complexed with Nadph, Dump, Pddf, and 5-(4-Chlorophenyl)-6-Ethylpyrimidine-2,4-Diamine (Pyrimethamine) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl704

b:27.0
occ:1.00
 CL1 B:CP6704 0.0 27.0 1.0
C10 B:CP6704 1.8 25.7 1.0
C9 B:CP6704 2.7 25.5 1.0
C11 B:CP6704 2.8 25.7 1.0
CG B:MET87 3.3 0.1 1.0
CG2 B:THR83 3.8 84.7 1.0
O B:THR83 3.9 88.0 1.0
C8 B:CP6704 4.0 25.1 1.0
SD B:MET87 4.1 0.9 1.0
C12 B:CP6704 4.1 25.3 1.0
OG B:SER86 4.2 0.7 1.0
C5N B:NDP702 4.3 74.8 1.0
CB B:MET87 4.6 0.6 1.0
C7 B:CP6704 4.6 24.9 1.0
C6N B:NDP702 4.8 75.0 1.0
C B:THR83 4.8 88.7 1.0
CA B:MET87 4.9 0.9 1.0
N B:MET87 4.9 0.5 1.0
CG1 B:VAL151 4.9 68.4 1.0
C4N B:NDP702 4.9 73.9 1.0

Reference:

S.B.Thomas, A.Hopper. Identification of Selective, Brain Penetrant Toxoplasma Gondii Dihydrofolate Reductase Inhibitors For the Treatment of Toxoplasmosis To Be Published.
Page generated: Sat Jul 12 11:26:21 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy