Chlorine in PDB 4apu: Pr X-Ray Structures in Agonist Conformations Reveal Two Different Mechanisms For Partial Agonism in 11BETA-Substituted Steroids

The structure of Pr X-Ray Structures in Agonist Conformations Reveal Two Different Mechanisms For Partial Agonism in 11BETA-Substituted Steroids, PDB code: 4apu was solved by S.J.Lusher, H.C.A.Raaijmakers, R.Bosch, D.Vu-Pham, R.Mcguire, A.Oubrie, J.De Vlieg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	70.04 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.662, 64.374, 70.468, 90.00, 96.33, 90.00
R / Rfree (%)	20.5 / 25.2

The binding sites of Chlorine atom in the Pr X-Ray Structures in Agonist Conformations Reveal Two Different Mechanisms For Partial Agonism in 11BETA-Substituted Steroids (pdb code 4apu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Pr X-Ray Structures in Agonist Conformations Reveal Two Different Mechanisms For Partial Agonism in 11BETA-Substituted Steroids, PDB code: 4apu:

Chlorine binding site 1 out of 1 in the Pr X-Ray Structures in Agonist Conformations Reveal Two Different Mechanisms For Partial Agonism in 11BETA-Substituted Steroids


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pr X-Ray Structures in Agonist Conformations Reveal Two Different Mechanisms For Partial Agonism in 11BETA-Substituted Steroids within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1933 b:74.5 occ:1.00 CL A:OR81933 0.0 74.5 1.0 C18 A:OR81933 1.8 64.1 1.0 N19 A:OR81933 2.9 65.0 1.0 C15 A:OR81933 2.9 62.6 1.0 O17 A:OR81933 3.1 55.8 1.0 CD2 A:LEU715 3.3 39.1 1.0 S14 A:OR81933 3.4 57.8 1.0 CB A:LEU718 3.4 30.1 1.0 CD1 A:LEU718 3.5 32.5 1.0 C26 A:OR81933 3.6 65.9 1.0 C6 A:OR81933 3.7 47.1 1.0 N13 A:OR81933 4.0 56.3 1.0 N20 A:OR81933 4.0 58.7 1.0 C21 A:OR81933 4.1 60.9 1.0 CG A:LEU718 4.1 31.9 1.0 C1 A:OR81933 4.1 45.9 1.0 O A:LEU715 4.2 30.3 1.0 CA A:LEU715 4.3 35.4 1.0 OD1 A:ASN719 4.4 30.3 1.0 CB A:LEU715 4.5 37.5 1.0 CG A:LEU715 4.5 39.4 1.0 C5 A:OR81933 4.5 49.8 1.0 CE1 A:PHE794 4.6 51.5 1.0 O16 A:OR81933 4.6 58.2 1.0 CA A:LEU718 4.7 29.9 1.0 C A:LEU715 4.7 33.9 1.0 C12 A:OR81933 4.9 53.1 1.0 C A:LEU718 4.9 28.6 1.0 N A:ASN719 4.9 28.1 1.0 CD2 A:LEU718 5.0 31.0 1.0

S.J.Lusher, H.C.Raaijmakers, D.Vu-Pham, B.Kazemier, R.Bosch, R.Mcguire, R.Azevedo, H.Hamersma, K.Dechering, A.Oubrie, M.Van Duin, J.De Vlieg. X-Ray Structures of Progesterone Receptor Ligand Binding Domain in Its Agonist State Reveal Differing Mechanisms For Mixed Profiles of 11 Beta-Substituted Steroids. J. Biol. Chem. V. 287 20333 2012.
ISSN: ESSN 1083-351X
PubMed: 22535964
DOI: 10.1074/JBC.M111.308403