Chlorine in PDB 3g0w: Crystal Structure of the Rat Androgen Receptor Ligand Binding Domain Complex with An N-Aryl-Oxazolidin 2-Imine Inhibitor

The structure of Crystal Structure of the Rat Androgen Receptor Ligand Binding Domain Complex with An N-Aryl-Oxazolidin 2-Imine Inhibitor, PDB code: 3g0w was solved by J.S.Sack, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.84 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.862, 65.739, 69.750, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 23.8

The structure of Crystal Structure of the Rat Androgen Receptor Ligand Binding Domain Complex with An N-Aryl-Oxazolidin 2-Imine Inhibitor also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Rat Androgen Receptor Ligand Binding Domain Complex with An N-Aryl-Oxazolidin 2-Imine Inhibitor (pdb code 3g0w). 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 Crystal Structure of the Rat Androgen Receptor Ligand Binding Domain Complex with An N-Aryl-Oxazolidin 2-Imine Inhibitor, PDB code: 3g0w:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Rat Androgen Receptor Ligand Binding Domain Complex with An N-Aryl-Oxazolidin 2-Imine Inhibitor


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 the Rat Androgen Receptor Ligand Binding Domain Complex with An N-Aryl-Oxazolidin 2-Imine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:23.7 occ:1.00 CL17 A:LGB1 0.0 23.7 1.0 C12 A:LGB1 1.7 21.0 1.0 C11 A:LGB1 2.7 23.6 1.0 C13 A:LGB1 2.7 20.0 1.0 C16 A:LGB1 3.0 24.1 1.0 C19 A:LGB1 3.0 20.4 1.0 CB A:MET749 3.4 20.7 1.0 O A:MET745 3.4 20.4 1.0 N20 A:LGB1 3.6 21.9 1.0 C A:MET745 3.7 22.4 1.0 CG A:MET749 3.8 24.5 1.0 CD2 A:PHE764 3.8 22.1 1.0 CE2 A:PHE764 3.9 23.8 1.0 C10 A:LGB1 4.0 25.7 1.0 N A:VAL746 4.0 19.2 1.0 C14 A:LGB1 4.0 23.3 1.0 CB A:MET745 4.0 21.1 1.0 CE A:MET749 4.0 26.6 1.0 CA A:VAL746 4.0 19.8 1.0 CA A:MET745 4.4 18.4 1.0 C15 A:LGB1 4.5 24.2 1.0 CG2 A:VAL746 4.6 24.2 1.0 O A:HOH3 4.6 26.9 1.0 SD A:MET749 4.8 29.3 1.0 CA A:MET749 4.8 19.2 1.0 NH1 A:ARG752 4.9 23.0 1.0 C A:VAL746 5.0 22.2 1.0 CG A:MET745 5.0 22.4 1.0 CB A:VAL746 5.0 24.1 1.0 CE A:MET745 5.0 20.8 1.0

A.A.Nirschl, Y.Zou, S.R.Krystek, J.C.Sutton, L.M.Simpkins, J.A.Lupisella, J.E.Kuhns, R.Seethala, R.Golla, P.G.Sleph, B.C.Beehler, G.J.Grover, D.Egan, A.Fura, V.P.Vyas, Y.X.Li, J.S.Sack, K.F.Kish, Y.An, J.A.Bryson, J.Z.Gougoutas, J.Dimarco, R.Zahler, J.Ostrowski, L.G.Hamann. N-Aryl-Oxazolidin-2-Imine Muscle Selective Androgen Receptor Modulators Enhance Potency Through Pharmacophore Reorientation. J.Med.Chem. V. 52 2794 2009.
ISSN: ISSN 0022-2623
PubMed: 19351168
DOI: 10.1021/JM801583J