Atomistry » Chlorine » PDB 1zop-232l » 1zxl
Atomistry »
  Chlorine »
    PDB 1zop-232l »
      1zxl »

Chlorine in PDB 1zxl: Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl Acp Reductase. Part 1:4'-Substituted Triclosan Derivatives

Enzymatic activity of Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl Acp Reductase. Part 1:4'-Substituted Triclosan Derivatives

All present enzymatic activity of Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl Acp Reductase. Part 1:4'-Substituted Triclosan Derivatives:
1.3.1.9;

Protein crystallography data

The structure of Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl Acp Reductase. Part 1:4'-Substituted Triclosan Derivatives, PDB code: 1zxl was solved by J.S.Freundlich, J.W.Anderson, D.Sarantakis, H.M.Shieh, M.Yu, E.Lucumi, M.Kuo, G.A.Schiehser, D.P.Jacobus, W.R.Jacobs Jr., D.A.Fidock, J.C.Sacchettini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 92.85 / 3.00
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 131.455, 131.455, 82.536, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 27.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl Acp Reductase. Part 1:4'-Substituted Triclosan Derivatives (pdb code 1zxl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl Acp Reductase. Part 1:4'-Substituted Triclosan Derivatives, PDB code: 1zxl:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 1zxl

Go back to Chlorine Binding Sites List in 1zxl
Chlorine binding site 1 out of 4 in the Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl Acp Reductase. Part 1:4'-Substituted Triclosan Derivatives


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl Acp Reductase. Part 1:4'-Substituted Triclosan Derivatives within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl500

b:52.5
occ:1.00
 CL16 A:JP1500 0.0 52.5 1.0
C11 A:JP1500 1.8 48.3 1.0
C10 A:JP1500 2.7 48.5 1.0
C12 A:JP1500 2.8 48.5 1.0
O9 A:JP1500 2.8 43.1 1.0
O5D A:NAD450 3.4 16.3 1.0
CB A:ALA217 3.4 27.9 1.0
C3D A:NAD450 3.7 20.1 1.0
C2D A:NAD450 3.7 21.1 1.0
C5B A:NAD450 3.8 35.5 1.0
CB A:ALA319 3.8 36.8 1.0
O A:ALA217 3.9 28.1 1.0
O5B A:NAD450 3.9 38.6 1.0
O3 A:NAD450 3.9 33.3 1.0
C15 A:JP1500 4.0 48.1 1.0
N A:ALA217 4.0 27.3 1.0
O2D A:NAD450 4.1 18.1 1.0
C13 A:JP1500 4.1 53.0 1.0
CA A:ALA217 4.1 26.7 1.0
C2 A:JP1500 4.1 40.9 1.0
PN A:NAD450 4.3 26.7 1.0
C A:ALA217 4.3 27.9 1.0
C5D A:NAD450 4.4 15.9 1.0
O1N A:NAD450 4.5 14.2 1.0
C14 A:JP1500 4.5 53.6 1.0
PA A:NAD450 4.6 36.9 1.0
O3D A:NAD450 4.6 19.4 1.0
C4D A:NAD450 4.6 20.6 1.0
C3 A:JP1500 4.8 39.9 1.0
O1A A:NAD450 4.9 35.9 1.0
C A:LEU216 5.0 25.7 1.0

Chlorine binding site 2 out of 4 in 1zxl

Go back to Chlorine Binding Sites List in 1zxl
Chlorine binding site 2 out of 4 in the Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl Acp Reductase. Part 1:4'-Substituted Triclosan Derivatives


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl Acp Reductase. Part 1:4'-Substituted Triclosan Derivatives within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl500

b:31.8
occ:1.00
 CL27 A:JP1500 0.0 31.8 1.0
C5 A:JP1500 1.8 34.0 1.0
C6 A:JP1500 2.7 39.0 1.0
C4 A:JP1500 2.8 32.3 1.0
CZ A:TYR267 3.4 6.8 1.0
O7N A:NAD450 3.5 36.5 1.0
CE2 A:TYR267 3.6 6.6 1.0
CE1 A:TYR267 3.7 7.9 1.0
OH A:TYR267 3.8 13.0 1.0
C4N A:NAD450 3.9 20.0 1.0
C1 A:JP1500 4.0 39.5 1.0
CD2 A:TYR267 4.1 11.6 1.0
C3 A:JP1500 4.1 39.9 1.0
CD1 A:TYR267 4.1 9.8 1.0
CB A:PRO314 4.2 17.1 1.0
CD1 A:ILE369 4.3 27.4 1.0
CG A:TYR267 4.3 9.2 1.0
CA A:PRO314 4.3 17.7 1.0
C7N A:NAD450 4.4 26.3 1.0
C3N A:NAD450 4.4 23.8 1.0
C2 A:JP1500 4.6 40.9 1.0
C5N A:NAD450 4.6 20.3 1.0
CB A:ALA372 4.9 18.9 1.0

Chlorine binding site 3 out of 4 in 1zxl

Go back to Chlorine Binding Sites List in 1zxl
Chlorine binding site 3 out of 4 in the Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl Acp Reductase. Part 1:4'-Substituted Triclosan Derivatives


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl Acp Reductase. Part 1:4'-Substituted Triclosan Derivatives within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:55.5
occ:1.00
 CL16 B:JP1501 0.0 55.5 1.0
C11 B:JP1501 1.8 51.2 1.0
C12 B:JP1501 2.7 50.9 1.0
C10 B:JP1501 2.8 51.0 1.0
O9 B:JP1501 3.0 45.5 1.0
O3 B:NAD451 3.4 30.6 1.0
CB B:ALA319 3.5 39.3 1.0
O B:ALA217 3.6 29.1 1.0
CB B:ALA217 3.8 27.0 1.0
C5B B:NAD451 3.9 33.8 1.0
C3D B:NAD451 3.9 18.7 1.0
O5D B:NAD451 4.0 15.2 1.0
O5B B:NAD451 4.0 34.0 1.0
C13 B:JP1501 4.0 55.0 1.0
C15 B:JP1501 4.1 50.0 1.0
C2D B:NAD451 4.1 18.9 1.0
N B:ALA217 4.2 28.4 1.0
C B:ALA217 4.2 28.7 1.0
C2 B:JP1501 4.3 40.0 1.0
PN B:NAD451 4.3 21.3 1.0
CA B:ALA217 4.3 27.0 1.0
PA B:NAD451 4.5 27.7 1.0
O1N B:NAD451 4.5 14.9 1.0
C5D B:NAD451 4.5 12.8 1.0
C14 B:JP1501 4.5 56.0 1.0
O2D B:NAD451 4.6 17.9 1.0
C3 B:JP1501 4.8 39.5 1.0
O3D B:NAD451 4.8 19.9 1.0
CA B:ALA319 4.9 41.6 1.0
C4D B:NAD451 4.9 17.7 1.0
CE B:MET281 4.9 32.3 1.0

Chlorine binding site 4 out of 4 in 1zxl

Go back to Chlorine Binding Sites List in 1zxl
Chlorine binding site 4 out of 4 in the Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl Acp Reductase. Part 1:4'-Substituted Triclosan Derivatives


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl Acp Reductase. Part 1:4'-Substituted Triclosan Derivatives within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:34.0
occ:1.00
 CL27 B:JP1501 0.0 34.0 1.0
C5 B:JP1501 1.8 35.6 1.0
C6 B:JP1501 2.7 39.5 1.0
C4 B:JP1501 2.8 35.1 1.0
CZ B:TYR267 3.5 8.3 1.0
CE1 B:TYR267 3.6 6.3 1.0
C4N B:NAD451 3.7 20.4 1.0
O7N B:NAD451 3.7 36.6 1.0
CD1 B:ILE369 3.8 28.9 1.0
CE2 B:TYR267 3.8 4.7 1.0
OH B:TYR267 3.9 11.7 1.0
CD1 B:TYR267 3.9 7.2 1.0
C1 B:JP1501 4.0 39.6 1.0
C3 B:JP1501 4.1 39.5 1.0
CD2 B:TYR267 4.2 8.6 1.0
C3N B:NAD451 4.2 23.4 1.0
CG B:TYR267 4.2 6.8 1.0
C5N B:NAD451 4.3 21.1 1.0
C7N B:NAD451 4.3 23.3 1.0
CB B:PRO314 4.4 19.9 1.0
CA B:PRO314 4.5 20.1 1.0
C2 B:JP1501 4.6 40.0 1.0

Reference:

J.S.Freundlich, J.W.Anderson, D.Sarantakis, H.M.Shieh, M.Yu, J.C.Valderramos, E.Lucumi, M.Kuo, W.R.Jacobs, D.A.Fidock, G.A.Schiehser, D.P.Jacobus, J.C.Sacchettini. Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl Acyl Carrier Protein Reductase. Part 1: 4'-Substituted Triclosan Derivatives. Bioorg.Med.Chem.Lett. V. 15 5247 2005.
ISSN: ISSN 0960-894X
PubMed: 16198563
DOI: 10.1016/J.BMCL.2005.08.044
Page generated: Sat Jul 20 04:53:29 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy