Chlorine in PDB 2gtk: Structure-Based Design of Indole Propionic Acids As Novel Pparag Co- Agonists

The structure of Structure-Based Design of Indole Propionic Acids As Novel Pparag Co- Agonists, PDB code: 2gtk was solved by B.Kuhn, H.Hilpert, J.Benz, A.Binggeli, U.Grether, R.Humm, H.-P.Maerki, M.Meyer, P.Mohr, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.239, 68.319, 87.952, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 26.1

The binding sites of Chlorine atom in the Structure-Based Design of Indole Propionic Acids As Novel Pparag Co- Agonists (pdb code 2gtk). 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 Structure-Based Design of Indole Propionic Acids As Novel Pparag Co- Agonists, PDB code: 2gtk:

Chlorine binding site 1 out of 1 in the Structure-Based Design of Indole Propionic Acids As Novel Pparag Co- Agonists


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure-Based Design of Indole Propionic Acids As Novel Pparag Co- Agonists within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:56.6 occ:1.00 CL23 A:2081001 0.0 56.6 1.0 C16 A:2081001 1.7 48.6 1.0 C27 A:2081001 2.7 48.8 1.0 C6 A:2081001 2.8 44.8 1.0 O5 A:2081001 2.8 36.1 1.0 C1 A:2081001 3.1 39.6 1.0 CG2 A:ILE281 3.6 28.3 1.0 O A:ILE281 3.7 28.4 1.0 CA A:ILE281 3.7 28.4 1.0 CE A:MET348 3.9 36.2 1.0 CB A:ILE281 3.9 28.3 1.0 CG1 A:ILE281 4.0 26.3 1.0 C31 A:2081001 4.0 48.5 1.0 C24 A:2081001 4.0 46.5 1.0 C7 A:2081001 4.1 33.6 1.0 SD A:MET348 4.2 34.9 1.0 C A:ILE281 4.2 29.0 1.0 N2 A:2081001 4.5 35.5 1.0 C29 A:2081001 4.5 49.4 1.0 CD1 A:ILE341 4.8 29.8 1.0 N A:CYS285 4.8 33.3 1.0 C26 A:2081001 4.8 34.3 1.0 SG A:CYS285 4.8 36.6 1.0 N A:ILE281 5.0 29.0 1.0 C3 A:2081001 5.0 33.0 1.0 CD1 A:ILE281 5.0 28.2 1.0

B.Kuhn, H.Hilpert, J.Benz, A.Binggeli, U.Grether, R.Humm, M.Meyer, P.Mohr. Structure-Based Design of Indole Propionic Acids As Novel Pparalpha/Gamma Co-Agonists Bioorg.Med.Chem.Lett. V. 16 4016 2006.
ISSN: ISSN 0960-894X
PubMed: 16737814
DOI: 10.1016/J.BMCL.2006.05.007