Chlorine in PDB 2q5s: Crystal Structure of Ppargamma Bound to Partial Agonist Ntzdpa

The structure of Crystal Structure of Ppargamma Bound to Partial Agonist Ntzdpa, PDB code: 2q5s 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)	9.97 / 2.05
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	89.712, 62.194, 117.956, 90.00, 101.05, 90.00
R / Rfree (%)	19.7 / 24.5

The binding sites of Chlorine atom in the Crystal Structure of Ppargamma Bound to Partial Agonist Ntzdpa (pdb code 2q5s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Ppargamma Bound to Partial Agonist Ntzdpa, PDB code: 2q5s:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Ppargamma Bound to Partial Agonist Ntzdpa


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 Ppargamma Bound to Partial Agonist Ntzdpa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl7001 b:36.4 occ:1.00 CLAC A:NZA7001 0.0 36.4 1.0 CAT A:NZA7001 1.7 32.2 1.0 CAK A:NZA7001 2.7 31.1 1.0 CAJ A:NZA7001 2.7 31.1 1.0 CB A:ALA292 3.5 17.6 1.0 O A:HOH7056 3.5 33.0 1.0 CG2 A:ILE326 3.6 14.4 1.0 OG A:SER289 3.9 24.3 1.0 CA A:SER289 4.0 22.1 1.0 CAN A:NZA7001 4.0 31.4 1.0 CAM A:NZA7001 4.0 30.6 1.0 O A:ARG288 4.2 22.9 1.0 N A:SER289 4.3 22.3 1.0 CG1 A:ILE326 4.3 15.2 1.0 C A:ARG288 4.4 22.9 1.0 CG A:ARG288 4.4 23.9 0.5 CG A:ARG288 4.5 23.1 0.5 CB A:ILE326 4.5 14.1 1.0 CAV A:NZA7001 4.5 31.1 1.0 CD1 A:ILE326 4.5 15.2 1.0 CB A:SER289 4.6 22.2 1.0 NE A:ARG288 4.8 27.2 0.5 CA A:ALA292 4.9 17.6 1.0 CB A:ARG288 4.9 23.2 0.5 O A:HOH7096 4.9 47.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Ppargamma Bound to Partial Agonist Ntzdpa


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 Ppargamma Bound to Partial Agonist Ntzdpa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl7001 b:36.4 occ:1.00 CLAD A:NZA7001 0.0 36.4 1.0 CAU A:NZA7001 1.7 33.4 1.0 CAL A:NZA7001 2.7 33.0 1.0 CAP A:NZA7001 2.7 32.4 1.0 CZ A:PHE363 3.3 35.2 1.0 CG2 A:ILE281 3.5 28.0 1.0 CE1 A:PHE363 3.5 35.2 1.0 CD2 A:LEU353 3.6 20.6 1.0 CG A:MET364 3.8 29.1 1.0 CE A:MET348 3.9 20.9 1.0 CAO A:NZA7001 4.0 32.3 1.0 CAZ A:NZA7001 4.0 32.2 1.0 SD A:MET364 4.2 33.3 1.0 CB A:CYS285 4.3 26.3 1.0 CD1 A:LEU353 4.4 19.8 1.0 CE2 A:PHE363 4.4 35.3 1.0 SG A:CYS285 4.5 28.7 1.0 CBA A:NZA7001 4.5 31.7 1.0 O A:ILE281 4.5 28.5 1.0 CG A:LEU353 4.6 21.9 1.0 CD1 A:PHE363 4.8 34.5 1.0 C A:ILE281 4.8 28.6 1.0 CE A:MET364 4.9 30.8 1.0 CB A:ILE281 4.9 28.2 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Ppargamma Bound to Partial Agonist Ntzdpa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Ppargamma Bound to Partial Agonist Ntzdpa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl5001 b:34.9 occ:1.00 CLAC B:NZA5001 0.0 34.9 1.0 CAT B:NZA5001 1.7 31.8 1.0 CAJ B:NZA5001 2.7 31.5 1.0 CAK B:NZA5001 2.7 32.0 1.0 CB B:ALA292 3.5 17.7 1.0 CG2 B:ILE326 3.8 16.2 1.0 CA B:SER289 3.9 19.6 1.0 OG B:SER289 3.9 20.6 1.0 CAM B:NZA5001 4.0 30.9 1.0 CAN B:NZA5001 4.0 31.8 1.0 CG1 B:ILE326 4.3 15.3 1.0 N B:SER289 4.3 19.5 1.0 O B:ARG288 4.3 19.3 1.0 CB B:SER289 4.4 19.4 1.0 C B:ARG288 4.5 20.0 1.0 CAV B:NZA5001 4.5 31.6 1.0 CB B:ILE326 4.5 15.7 1.0 CD1 B:ILE326 4.6 17.3 1.0 CG B:ARG288 4.7 22.0 1.0 NH1 B:ARG288 4.9 28.0 1.0 C B:SER289 4.9 19.4 1.0 O B:SER289 4.9 19.4 1.0 CA B:ALA292 4.9 18.1 1.0 O B:ILE326 5.0 15.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Ppargamma Bound to Partial Agonist Ntzdpa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Ppargamma Bound to Partial Agonist Ntzdpa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl5001 b:37.7 occ:1.00 CLAD B:NZA5001 0.0 37.7 1.0 CAU B:NZA5001 1.7 34.4 1.0 CAL B:NZA5001 2.7 34.0 1.0 CAP B:NZA5001 2.7 33.4 1.0 CZ B:PHE363 3.4 43.6 1.0 CE B:MET364 3.5 38.9 1.0 CG2 B:ILE281 3.5 31.0 1.0 CD2 B:LEU353 3.8 32.6 1.0 CG B:MET364 4.0 37.7 1.0 CAZ B:NZA5001 4.0 32.6 1.0 CAO B:NZA5001 4.0 33.4 1.0 CE2 B:PHE363 4.1 43.3 1.0 CB B:CYS285 4.3 27.4 1.0 CE1 B:PHE363 4.3 43.5 1.0 SG B:CYS285 4.4 30.7 1.0 O B:ILE281 4.5 30.8 1.0 CBA B:NZA5001 4.5 32.3 1.0 SD B:MET364 4.5 38.4 1.0 CD1 B:LEU353 4.6 32.4 1.0 CG B:LEU353 4.8 33.0 1.0 C B:ILE281 4.9 31.3 1.0 CB B:ILE281 5.0 31.3 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