Atomistry » Chlorine » PDB 3ili-3ist » 3irm
Atomistry »
  Chlorine »
    PDB 3ili-3ist »
      3irm »

Chlorine in PDB 3irm: Trypanosoma Cruzi Dihydrofolate Reductase-Thymidylate Synthase Complexed with Cycloguanil

Enzymatic activity of Trypanosoma Cruzi Dihydrofolate Reductase-Thymidylate Synthase Complexed with Cycloguanil

All present enzymatic activity of Trypanosoma Cruzi Dihydrofolate Reductase-Thymidylate Synthase Complexed with Cycloguanil:
1.5.1.3; 2.1.1.45;

Protein crystallography data

The structure of Trypanosoma Cruzi Dihydrofolate Reductase-Thymidylate Synthase Complexed with Cycloguanil, PDB code: 3irm was solved by P.Chitnumsub, J.Yuvaniyama, Y.Yuthavong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.97 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 81.436, 165.792, 84.767, 90.00, 113.40, 90.00
R / Rfree (%) 20.2 / 24.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Trypanosoma Cruzi Dihydrofolate Reductase-Thymidylate Synthase Complexed with Cycloguanil (pdb code 3irm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Trypanosoma Cruzi Dihydrofolate Reductase-Thymidylate Synthase Complexed with Cycloguanil, PDB code: 3irm:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3irm

Go back to Chlorine Binding Sites List in 3irm
Chlorine binding site 1 out of 4 in the Trypanosoma Cruzi Dihydrofolate Reductase-Thymidylate Synthase Complexed with Cycloguanil


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Trypanosoma Cruzi Dihydrofolate Reductase-Thymidylate Synthase Complexed with Cycloguanil within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:36.4
occ:1.00
 CL17 A:1CY601 0.0 36.4 1.0
C14 A:1CY601 1.7 34.1 1.0
C13 A:1CY601 2.7 32.5 1.0
C15 A:1CY601 2.7 31.2 1.0
CG2 A:THR80 3.3 26.7 1.0
CG1 A:ILE84 3.6 36.6 1.0
CD1 A:ILE84 3.8 35.5 1.0
O A:THR80 3.9 28.9 1.0
C12 A:1CY601 3.9 31.1 1.0
C16 A:1CY601 4.0 31.7 1.0
OG A:SER83 4.1 40.0 1.0
C11 A:1CY601 4.5 31.2 1.0
CD1 A:ILE154 4.5 22.7 1.0
C A:THR80 4.6 28.7 1.0
CB A:THR80 4.7 27.6 1.0

Chlorine binding site 2 out of 4 in 3irm

Go back to Chlorine Binding Sites List in 3irm
Chlorine binding site 2 out of 4 in the Trypanosoma Cruzi Dihydrofolate Reductase-Thymidylate Synthase Complexed with Cycloguanil


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Trypanosoma Cruzi Dihydrofolate Reductase-Thymidylate Synthase Complexed with Cycloguanil within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl602

b:46.8
occ:1.00
 CL17 B:1CY602 0.0 46.8 1.0
C14 B:1CY602 1.7 43.0 1.0
C13 B:1CY602 2.7 41.8 1.0
C15 B:1CY602 2.7 41.7 1.0
CG2 B:THR80 3.3 34.4 1.0
CG1 B:ILE84 3.6 42.7 1.0
O B:THR80 3.6 39.0 1.0
CD1 B:ILE84 3.8 39.6 1.0
C12 B:1CY602 3.9 39.0 1.0
C16 B:1CY602 4.0 39.9 1.0
CD1 B:ILE154 4.2 29.9 1.0
NH1 B:ARG39 4.4 90.3 1.0
C B:THR80 4.5 38.7 1.0
C11 B:1CY602 4.5 40.1 1.0
CB B:THR80 4.6 36.0 1.0
CZ B:ARG39 4.7 90.3 1.0
CD B:ARG39 4.9 89.5 1.0
NE B:ARG39 4.9 90.0 1.0
CA B:THR80 4.9 37.4 1.0
CD1 B:LEU91 5.0 41.3 1.0

Chlorine binding site 3 out of 4 in 3irm

Go back to Chlorine Binding Sites List in 3irm
Chlorine binding site 3 out of 4 in the Trypanosoma Cruzi Dihydrofolate Reductase-Thymidylate Synthase Complexed with Cycloguanil


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Trypanosoma Cruzi Dihydrofolate Reductase-Thymidylate Synthase Complexed with Cycloguanil within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl603

b:35.8
occ:1.00
 CL17 C:1CY603 0.0 35.8 1.0
C14 C:1CY603 1.7 28.5 1.0
C13 C:1CY603 2.7 27.5 1.0
C15 C:1CY603 2.7 27.8 1.0
CG1 C:ILE84 3.5 37.5 1.0
CG2 C:THR80 3.5 27.2 1.0
CD1 C:ILE84 3.7 35.3 1.0
O C:THR80 3.7 31.6 1.0
C12 C:1CY603 3.9 23.9 1.0
C16 C:1CY603 4.0 25.9 1.0
CD1 C:ILE154 4.2 23.2 1.0
OG C:SER83 4.3 38.6 1.0
C11 C:1CY603 4.5 25.6 1.0
C C:THR80 4.6 31.2 1.0
CB C:THR80 4.8 30.6 1.0
CB C:ILE84 4.9 40.2 1.0
CD1 C:LEU91 5.0 29.7 1.0

Chlorine binding site 4 out of 4 in 3irm

Go back to Chlorine Binding Sites List in 3irm
Chlorine binding site 4 out of 4 in the Trypanosoma Cruzi Dihydrofolate Reductase-Thymidylate Synthase Complexed with Cycloguanil


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Trypanosoma Cruzi Dihydrofolate Reductase-Thymidylate Synthase Complexed with Cycloguanil within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl604

b:40.3
occ:1.00
 CL17 D:1CY604 0.0 40.3 1.0
C14 D:1CY604 1.7 34.6 1.0
C13 D:1CY604 2.7 33.7 1.0
C15 D:1CY604 2.7 33.9 1.0
CG2 D:THR80 3.4 28.3 1.0
CG1 D:ILE84 3.6 40.9 1.0
O D:THR80 3.7 30.8 1.0
CD1 D:ILE84 3.9 37.5 1.0
OG D:SER83 3.9 43.9 1.0
C12 D:1CY604 3.9 31.0 1.0
C16 D:1CY604 4.0 31.1 1.0
CD1 D:ILE154 4.3 24.0 1.0
C11 D:1CY604 4.5 29.6 1.0
C D:THR80 4.5 30.9 1.0
CB D:THR80 4.7 29.0 1.0
CA D:THR80 4.9 30.2 1.0
CB D:ILE84 5.0 41.2 1.0

Reference:

P.Chitnumsub, J.Yuvaniyama, T.Vilaivan, J.Vanichtanankul, S.Kamchonwongpaisan, Y.Yuthavong. Structural Basis of Antifolate Inhibition of Trypanosoma Cruzi Dihydrofolate Reductase-Thymidylate Synthase To Be Published.
Page generated: Sat Jul 20 21:50:53 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy