Chlorine in PDB 2p4y: Crystal Structure of Human Ppar-Gamma-Ligand Binding Domain Complexed with An Indole-Based Modulator

The structure of Crystal Structure of Human Ppar-Gamma-Ligand Binding Domain Complexed with An Indole-Based Modulator, PDB code: 2p4y was solved by B.M.Mckeever, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.34 / 2.25
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.148, 59.859, 118.287, 90.00, 103.76, 90.00
R / Rfree (%)	n/a / n/a

The structure of Crystal Structure of Human Ppar-Gamma-Ligand Binding Domain Complexed with An Indole-Based Modulator also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human Ppar-Gamma-Ligand Binding Domain Complexed with An Indole-Based Modulator (pdb code 2p4y). 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 Human Ppar-Gamma-Ligand Binding Domain Complexed with An Indole-Based Modulator, PDB code: 2p4y:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human Ppar-Gamma-Ligand Binding Domain Complexed with An Indole-Based Modulator


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 Human Ppar-Gamma-Ligand Binding Domain Complexed with An Indole-Based Modulator within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl478 b:21.0 occ:1.00 CL1 A:C03478 0.0 21.0 1.0 C31 A:C03478 1.7 29.5 1.0 C30 A:C03478 2.7 33.5 1.0 C24 A:C03478 2.8 32.8 1.0 C18 A:C03478 3.2 34.3 1.0 CG1 A:VAL339 3.6 28.7 1.0 CD1 A:LEU353 3.7 42.0 1.0 CE A:MET364 3.7 48.0 1.0 CD2 A:LEU353 3.8 39.7 1.0 C29 A:C03478 4.0 35.3 1.0 C27 A:C03478 4.1 33.7 1.0 SD A:MET348 4.2 40.6 1.0 SG A:CYS285 4.3 42.9 1.0 CG A:LEU353 4.3 41.3 1.0 CG2 A:ILE341 4.3 36.6 1.0 CG A:MET364 4.3 44.0 1.0 SD A:MET364 4.5 46.0 1.0 C28 A:C03478 4.6 38.0 1.0 N12 A:C03478 4.7 33.2 1.0 CB A:MET348 4.8 36.0 1.0 CG A:MET348 4.9 36.0 1.0 CG2 A:ILE281 4.9 48.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human Ppar-Gamma-Ligand Binding Domain Complexed with An Indole-Based Modulator


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 Human Ppar-Gamma-Ligand Binding Domain Complexed with An Indole-Based Modulator within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl478 b:38.2 occ:1.00 CL1 B:C03478 0.0 38.2 1.0 C31 B:C03478 1.7 43.5 1.0 C30 B:C03478 2.7 45.2 1.0 C24 B:C03478 2.8 44.7 1.0 C18 B:C03478 3.3 42.5 1.0 CD1 B:LEU353 3.4 42.0 1.0 CG1 B:VAL339 3.5 35.2 1.0 CD2 B:LEU353 3.7 42.5 1.0 SD B:MET364 3.8 51.6 1.0 CG B:MET364 3.8 50.5 1.0 C29 B:C03478 4.0 48.1 1.0 C27 B:C03478 4.1 46.2 1.0 CG B:LEU353 4.1 44.9 1.0 SD B:MET348 4.4 49.5 1.0 SG B:CYS285 4.5 46.1 1.0 C28 B:C03478 4.6 50.7 1.0 N12 B:C03478 4.7 39.3 1.0 CG2 B:ILE341 4.8 35.7 1.0 CB B:VAL339 4.8 34.9 1.0 CB B:MET364 4.9 47.1 1.0

M.Einstein, T.E.Akiyama, G.A.Castriota, C.F.Wang, B.Mckeever, R.T.Mosley, J.W.Becker, D.E.Moller, P.T.Meinke, H.B.Wood, J.P.Berger. The Differential Interactions of Peroxisome Proliferator-Activated Receptor Gamma Ligands with TYR473 Is A Physical Basis For Their Unique Biological Activities. Mol.Pharmacol. V. 73 62 2008.
ISSN: ISSN 0026-895X
PubMed: 17940191
DOI: 10.1124/MOL.107.041202