Chlorine in PDB 3zra: 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: 3zra 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)	28.12 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.305, 64.114, 69.932, 90.00, 96.53, 90.00
R / Rfree (%)	21.2 / 24.8

The structure of Structural Basis For Agonism and Antagonism For A Set of Chemically Related Progesterone Receptor Modulators also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

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 3zra). 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: 3zra:
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:52.1 occ:1.00 CL2 A:ORB1000 0.0 52.1 1.0 C5 A:ORB1000 1.7 48.4 1.0 N6 A:ORB1000 2.6 48.1 1.0 C4 A:ORB1000 2.8 48.7 1.0 C8 A:ORB1000 3.2 47.1 1.0 C7 A:ORB1000 3.2 47.6 1.0 O A:LEU718 3.2 33.5 1.0 CD2 A:LEU721 3.7 37.1 1.0 C1 A:ORB1000 3.9 47.5 1.0 CD2 A:LEU718 4.0 36.8 1.0 CG A:LEU721 4.0 36.7 1.0 N A:GLY722 4.0 33.1 1.0 C3 A:ORB1000 4.0 48.3 1.0 C A:LEU718 4.1 35.0 1.0 CE A:MET759 4.1 38.1 1.0 CB A:LEU721 4.1 36.4 1.0 CD1 A:PHE778 4.1 36.2 1.0 CA A:LEU718 4.2 36.2 1.0 CB A:LEU718 4.3 35.7 1.0 OE1 A:GLN725 4.3 43.7 1.0 CA A:GLY722 4.3 31.3 1.0 C9 A:ORB1000 4.4 47.0 1.0 C12 A:ORB1000 4.4 47.2 1.0 C2 A:ORB1000 4.5 47.9 1.0 C A:LEU721 4.6 34.0 1.0 CE1 A:PHE778 4.8 36.1 1.0 CG A:LEU718 4.8 36.7 1.0 CD A:GLN725 4.9 39.7 1.0 CA A:LEU721 5.0 35.9 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:43.9 occ:1.00 CL2 B:ORB1000 0.0 43.9 1.0 C5 B:ORB1000 1.7 37.7 1.0 N6 B:ORB1000 2.6 38.1 1.0 C4 B:ORB1000 2.7 38.0 1.0 C8 B:ORB1000 3.2 35.4 1.0 C7 B:ORB1000 3.2 36.3 1.0 O B:LEU718 3.5 22.0 1.0 CD2 B:LEU721 3.7 19.5 1.0 C1 B:ORB1000 3.9 36.5 1.0 CD2 B:LEU718 3.9 22.1 1.0 CD1 B:PHE778 4.0 24.6 1.0 C3 B:ORB1000 4.0 38.2 1.0 CG B:LEU721 4.1 20.0 1.0 N B:GLY722 4.2 19.3 1.0 CB B:LEU721 4.3 21.4 1.0 C9 B:ORB1000 4.4 35.3 1.0 C B:LEU718 4.4 22.8 1.0 C2 B:ORB1000 4.4 37.7 1.0 C12 B:ORB1000 4.4 36.0 1.0 CA B:GLY722 4.5 19.0 1.0 CE1 B:PHE778 4.5 24.9 1.0 CA B:LEU718 4.5 23.2 1.0 CE B:MET759 4.5 32.8 1.0 CB B:LEU718 4.6 23.4 1.0 C B:LEU721 4.8 20.1 1.0 SD B:MET759 4.9 32.9 1.0 CG B:LEU718 4.9 24.0 1.0 CG B:PHE778 4.9 23.1 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