Chlorine in PDB 2q6s: 2.4 Angstrom Crystal Structure of Ppar Gamma Complexed to Bvt.13 Without Co-Activator Peptides

The structure of 2.4 Angstrom Crystal Structure of Ppar Gamma Complexed to Bvt.13 Without Co-Activator Peptides, PDB code: 2q6s was solved by J.B.Bruning, K.W.Nettles, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.348, 62.033, 118.132, 90.00, 102.29, 90.00
R / Rfree (%)	20.6 / 26.4

The binding sites of Chlorine atom in the 2.4 Angstrom Crystal Structure of Ppar Gamma Complexed to Bvt.13 Without Co-Activator Peptides (pdb code 2q6s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 2.4 Angstrom Crystal Structure of Ppar Gamma Complexed to Bvt.13 Without Co-Activator Peptides, PDB code: 2q6s:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the 2.4 Angstrom Crystal Structure of Ppar Gamma Complexed to Bvt.13 Without Co-Activator Peptides


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.4 Angstrom Crystal Structure of Ppar Gamma Complexed to Bvt.13 Without Co-Activator Peptides within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl5001 b:70.6 occ:1.00 CL20 B:PLB5001 0.0 70.6 1.0 C16 B:PLB5001 1.7 70.8 1.0 C15 B:PLB5001 2.7 71.0 1.0 C17 B:PLB5001 2.8 68.0 1.0 CB B:ALA292 3.9 30.0 1.0 C14 B:PLB5001 4.0 72.7 1.0 C18 B:PLB5001 4.0 68.5 1.0 O B:ILE326 4.2 30.4 1.0 NH2 B:ARG288 4.2 48.8 1.0 CG2 B:ILE326 4.3 25.4 1.0 CZ B:ARG288 4.4 47.4 1.0 NE B:ARG288 4.4 43.9 1.0 C13 B:PLB5001 4.5 70.8 1.0 CA B:ILE326 4.7 26.6 1.0 N B:LEU330 4.7 28.5 1.0 CG B:ARG288 4.7 36.0 1.0 CG1 B:ILE326 4.8 27.4 1.0 C B:ILE326 4.9 27.2 1.0 CB B:ILE326 4.9 28.1 1.0 CD1 B:LEU330 4.9 40.4 1.0 CB B:MET329 4.9 32.0 1.0 CA B:LEU330 5.0 27.5 1.0

Chlorine binding site 2 out of 2 in the 2.4 Angstrom Crystal Structure of Ppar Gamma Complexed to Bvt.13 Without Co-Activator Peptides


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.4 Angstrom Crystal Structure of Ppar Gamma Complexed to Bvt.13 Without Co-Activator Peptides within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl5001 b:72.4 occ:1.00 CL19 B:PLB5001 0.0 72.4 1.0 C14 B:PLB5001 1.8 72.7 1.0 C15 B:PLB5001 2.7 71.0 1.0 C13 B:PLB5001 2.8 70.8 1.0 O B:LEU340 3.0 37.3 1.0 C11 B:PLB5001 3.1 69.1 1.0 N10 B:PLB5001 3.2 68.5 1.0 O9 B:PLB5001 3.3 51.0 1.0 O12 B:PLB5001 3.9 67.2 1.0 CD1 B:LEU333 3.9 32.9 1.0 CA B:ILE341 4.0 35.0 1.0 C16 B:PLB5001 4.1 70.8 1.0 C18 B:PLB5001 4.1 68.5 1.0 CD1 B:LEU330 4.1 40.4 1.0 C B:LEU340 4.1 34.0 1.0 CG2 B:ILE341 4.1 33.8 1.0 C2 B:PLB5001 4.2 65.2 1.0 CG2 B:VAL339 4.2 28.8 1.0 C7 B:PLB5001 4.4 61.7 1.0 O B:HOH5027 4.4 56.9 1.0 CG B:ARG288 4.4 36.0 1.0 CB B:ILE341 4.5 35.3 1.0 N B:ILE341 4.5 35.6 1.0 C17 B:PLB5001 4.6 68.0 1.0 C1 B:PLB5001 4.7 62.4 1.0 C B:ILE341 5.0 37.9 1.0

J.B.Bruning, M.J.Chalmers, S.Prasad, S.A.Busby, T.M.Kamenecka, Y.He, K.W.Nettles, P.R.Griffin. Partial Agonists Activate Ppargamma Using A Helix 12 Independent Mechanism Structure V. 15 1258 2007.
ISSN: ISSN 0969-2126
PubMed: 17937915
DOI: 10.1016/J.STR.2007.07.014