Chlorine in PDB 3zr7: Structural Basis For Agonism and Antagonism For A Set of Chemically Related Progesterone Receptor Modulators

The structure of Structural Basis For Agonism and Antagonism For A Set of Chemically Related Progesterone Receptor Modulators, PDB code: 3zr7 was solved by S.J.Lusher, H.C.A.Raaijmakers, D.Vu-Pham, K.Dechering, T.Wai Lam, A.R.Brown, N.M.Hamilton, O.Nimz, R.Azevedo, R.Mcguire, A.Oubrie, J.Devlieg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.34 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.792, 64.235, 69.981, 90.00, 95.67, 90.00
R / Rfree (%)	16.3 / 19.2

The binding sites of Chlorine atom in the Structural Basis For Agonism and Antagonism For A Set of Chemically Related Progesterone Receptor Modulators (pdb code 3zr7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structural Basis For Agonism and Antagonism For A Set of Chemically Related Progesterone Receptor Modulators, PDB code: 3zr7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structural Basis For Agonism and Antagonism For A Set of Chemically Related Progesterone Receptor Modulators


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Basis For Agonism and Antagonism For A Set of Chemically Related Progesterone Receptor Modulators within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1000 b:28.8 occ:1.00 CL A:OR81000 0.0 28.8 1.0 C18 A:OR81000 1.7 25.2 1.0 N19 A:OR81000 2.7 25.1 1.0 C15 A:OR81000 2.8 23.8 1.0 O17 A:OR81000 2.9 24.0 1.0 C26 A:OR81000 3.3 25.8 1.0 S14 A:OR81000 3.5 21.8 1.0 C4 A:OR81000 3.6 19.8 1.0 C3 A:OR81000 3.9 19.9 1.0 N20 A:OR81000 3.9 24.3 1.0 C21 A:OR81000 3.9 23.7 1.0 C5 A:OR81000 4.0 19.5 1.0 CE A:MET756 4.1 18.2 1.0 SD A:MET756 4.1 17.8 1.0 CD2 A:LEU797 4.2 26.5 1.0 C2 A:OR81000 4.4 20.3 1.0 CD1 A:TYR890 4.4 20.4 1.0 C22 A:OR81000 4.4 24.4 1.0 O A:LEU887 4.5 15.0 1.0 C6 A:OR81000 4.5 21.1 1.0 N13 A:OR81000 4.5 20.3 1.0 CB A:LEU887 4.5 17.7 1.0 C12 A:OR81000 4.5 18.6 1.0 O16 A:OR81000 4.6 24.9 1.0 C1 A:OR81000 4.7 21.0 1.0 CD2 A:LEU887 4.9 21.8 1.0 CE1 A:TYR890 4.9 21.8 1.0 CA A:LEU887 4.9 16.0 1.0

Chlorine binding site 2 out of 2 in the Structural Basis For Agonism and Antagonism For A Set of Chemically Related Progesterone Receptor Modulators


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural Basis For Agonism and Antagonism For A Set of Chemically Related Progesterone Receptor Modulators within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1000 b:19.5 occ:1.00 CL B:OR81000 0.0 19.5 1.0 C18 B:OR81000 1.8 16.6 1.0 N19 B:OR81000 2.7 16.6 1.0 C15 B:OR81000 2.8 14.9 1.0 O17 B:OR81000 3.0 16.3 1.0 C26 B:OR81000 3.2 18.2 1.0 C4 B:OR81000 3.6 14.4 1.0 S14 B:OR81000 3.6 15.0 1.0 C3 B:OR81000 3.8 15.0 1.0 SD B:MET756 3.8 15.9 1.0 C5 B:OR81000 3.9 14.4 1.0 N20 B:OR81000 3.9 16.3 1.0 CE B:MET756 3.9 16.4 1.0 C21 B:OR81000 4.0 16.3 1.0 CD2 B:LEU797 4.1 17.1 1.0 C22 B:OR81000 4.1 18.7 1.0 C2 B:OR81000 4.2 15.0 1.0 C6 B:OR81000 4.4 16.0 1.0 CG B:LEU887 4.4 14.6 1.0 C12 B:OR81000 4.5 14.7 1.0 C1 B:OR81000 4.5 14.0 1.0 CB B:LEU887 4.5 13.0 1.0 O B:LEU887 4.5 13.6 1.0 CD1 B:TYR890 4.5 15.1 1.0 N13 B:OR81000 4.5 15.9 1.0 CD2 B:LEU887 4.6 15.3 1.0 O16 B:OR81000 4.7 16.3 1.0 CA B:LEU887 4.9 12.9 1.0 C11 B:OR81000 5.0 17.6 1.0 CG B:LEU797 5.0 19.1 1.0

S.J.Lusher, H.C.Raaijmakers, D.Vu-Pham, K.Dechering, T.W.Lam, A.R.Brown, N.M.Hamilton, O.Nimz, R.Bosch, R.Mcguire, A.Oubrie, J.De Vlieg. Structural Basis For Agonism and Antagonism For A Set of Chemically Related Progesterone Receptor Modulators. J. Biol. Chem. V. 286 35079 2011.
ISSN: ESSN 1083-351X
PubMed: 21849509
DOI: 10.1074/JBC.M111.273029