Chlorine in PDB 4ql8: Crystal Structure of Androgen Receptor in Complex with the Ligand

The structure of Crystal Structure of Androgen Receptor in Complex with the Ligand, PDB code: 4ql8 was solved by N.Krishnamurthy, R.Sangeetha, C.Ghadiyaram, S.Sasmal, H.S.Subramanya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.62 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.129, 65.476, 68.964, 90.00, 90.00, 90.00
R / Rfree (%)	24.4 / 27.5

The binding sites of Chlorine atom in the Crystal Structure of Androgen Receptor in Complex with the Ligand (pdb code 4ql8). 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 Androgen Receptor in Complex with the Ligand, PDB code: 4ql8:

Chlorine binding site 1 out of 1 in the Crystal Structure of Androgen Receptor in Complex with the Ligand


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 Androgen Receptor in Complex with the Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:16.3 occ:1.00 CL1 A:JAD1001 0.0 16.3 1.0 C3 A:JAD1001 1.8 16.1 1.0 C2 A:JAD1001 2.7 16.1 1.0 C4 A:JAD1001 2.8 16.2 1.0 C7 A:JAD1001 2.9 16.2 1.0 C8 A:JAD1001 3.0 16.4 1.0 O A:MET745 3.5 16.6 1.0 N1 A:JAD1001 3.6 15.7 1.0 CB A:MET749 3.6 17.7 1.0 CE2 A:PHE764 3.6 20.0 1.0 CD2 A:PHE764 3.6 19.9 1.0 C A:MET745 3.7 16.7 1.0 CG A:MET749 3.8 17.8 1.0 N A:VAL746 3.9 16.7 1.0 CA A:VAL746 3.9 16.7 1.0 CB A:MET745 4.0 16.8 1.0 C1 A:JAD1001 4.0 16.2 1.0 C5 A:JAD1001 4.1 16.2 1.0 CE A:MET749 4.1 18.1 1.0 CG2 A:VAL746 4.4 16.7 1.0 CA A:MET745 4.5 16.7 1.0 C6 A:JAD1001 4.6 16.3 1.0 CB A:VAL746 4.8 16.7 1.0 SD A:MET749 4.9 18.1 1.0 CZ A:PHE764 4.9 20.0 1.0 O A:HOH1124 4.9 18.9 1.0 CG A:PHE764 4.9 20.1 1.0 C A:VAL746 5.0 16.8 1.0

T.Ullrich, S.Sasmal, V.Boorgu, S.Pasagadi, S.Cheera, S.Rajagopalan, A.Bhumireddy, D.Shashikumar, S.Chelur, C.Belliappa, C.Pandit, N.Krishnamurthy, S.Mukherjee, A.Ramanathan, C.Ghadiyaram, M.Ramachandra, P.G.Santos, B.Lagu, M.G.Bock, M.H.Perrone, S.Weiler, H.Keller. 3-Alkoxy-Pyrrolo[1,2-B]Pyrazolines As Selective Androgen Receptor Modulators with Ideal Physicochemical Properties For Transdermal Administration J.Med.Chem. V. 57 7396 2014.
ISSN: ISSN 0022-2623
PubMed: 25121964
DOI: 10.1021/JM5009049