Chlorine in PDB 5cj6: Crystal Structure of A Selective Androgen Receptor Modulator Bound to the Ligand Binding Domain of the Human Androgen Receptor

The structure of Crystal Structure of A Selective Androgen Receptor Modulator Bound to the Ligand Binding Domain of the Human Androgen Receptor, PDB code: 5cj6 was solved by J.G.Luz, A.Saeed, Y.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.08 / 2.07
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.803, 65.997, 73.410, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 22.2

The binding sites of Chlorine atom in the Crystal Structure of A Selective Androgen Receptor Modulator Bound to the Ligand Binding Domain of the Human Androgen Receptor (pdb code 5cj6). 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 A Selective Androgen Receptor Modulator Bound to the Ligand Binding Domain of the Human Androgen Receptor, PDB code: 5cj6:

Chlorine binding site 1 out of 1 in the Crystal Structure of A Selective Androgen Receptor Modulator Bound to the Ligand Binding Domain of the Human Androgen Receptor


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 A Selective Androgen Receptor Modulator Bound to the Ligand Binding Domain of the Human Androgen Receptor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:54.5 occ:1.00 CL1 A:51Y1001 0.0 54.5 1.0 C3 A:51Y1001 1.7 40.0 1.0 C2 A:51Y1001 2.7 38.5 1.0 C4 A:51Y1001 2.7 39.4 1.0 C17 A:51Y1001 2.9 38.8 1.0 C5 A:51Y1001 3.0 37.9 1.0 N18 A:51Y1001 3.6 39.0 1.0 O A:MET745 3.6 22.2 1.0 CB A:MET749 3.7 25.8 1.0 C A:MET745 3.8 21.8 1.0 CD2 A:PHE764 3.8 23.5 1.0 CE2 A:PHE764 3.8 23.7 1.0 CG A:MET749 3.9 28.9 1.0 C1 A:51Y1001 4.0 37.4 1.0 C6 A:51Y1001 4.0 37.8 1.0 CB A:MET745 4.0 23.0 1.0 N A:VAL746 4.1 21.4 1.0 CE A:MET749 4.1 31.6 1.0 CA A:VAL746 4.2 21.2 1.0 C7 A:51Y1001 4.5 37.1 1.0 CA A:MET745 4.5 21.7 1.0 O A:HOH1160 4.6 22.7 1.0 CE A:MET745 4.6 27.5 1.0 CG2 A:VAL746 4.7 22.7 1.0 SD A:MET745 4.7 27.5 1.0 CG A:MET745 4.8 25.5 1.0 SD A:MET749 4.9 34.1 1.0 NH1 A:ARG752 5.0 23.6 1.0

A.Saeed, G.M.Vaught, K.Gavardinas, D.Matthews, J.E.Green, P.G.Losada, H.A.Bullock, N.A.Calvert, N.J.Patel, S.A.Sweetana, V.Krishnan, J.W.Henck, J.G.Luz, Y.Wang, P.Jadhav. 2-Chloro-4-[[(1R,2R) -2-Hydroxy-2-Methyl-Cyclopentyl]Amino]-3-Methyl-Benzonitrile : A Transdermal Selective Androgen Receptor Modulator (Sarm) For Muscle Atrophy. J.Med.Chem. V. 59 750 2016.
ISSN: ISSN 0022-2623
PubMed: 26683992
DOI: 10.1021/ACS.JMEDCHEM.5B01168