Chlorine in PDB 3l0e: X-Ray Crystal Structure of A Potent Liver X Receptor Modulator

The structure of X-Ray Crystal Structure of A Potent Liver X Receptor Modulator, PDB code: 3l0e was solved by R.T.Gampe Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.74 / 2.30
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	114.855, 114.855, 56.407, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 23.7

The structure of X-Ray Crystal Structure of A Potent Liver X Receptor Modulator also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Chlorine atom in the X-Ray Crystal Structure of A Potent Liver X Receptor Modulator (pdb code 3l0e). 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 X-Ray Crystal Structure of A Potent Liver X Receptor Modulator, PDB code: 3l0e:

Chlorine binding site 1 out of 1 in the X-Ray Crystal Structure of A Potent Liver X Receptor Modulator


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of A Potent Liver X Receptor Modulator within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:80.1 occ:1.00 CL1 A:G581 0.0 80.1 1.0 C25 A:G581 1.7 72.4 1.0 C24 A:G581 2.6 71.4 1.0 C20 A:G581 2.7 71.0 1.0 C19 A:G581 3.0 69.8 1.0 CD1 A:ILE309 3.1 43.8 1.0 CD2 A:HIS435 3.3 49.4 1.0 NE2 A:HIS435 3.4 50.0 1.0 N3 A:G581 3.5 67.7 1.0 C23 A:G581 3.9 70.8 1.0 C21 A:G581 3.9 71.2 1.0 O1 A:G581 4.0 69.4 1.0 C7 A:G581 4.0 58.8 1.0 CZ A:PHE349 4.1 51.2 1.0 CH2 A:TRP457 4.2 45.5 1.0 SD A:MET312 4.2 48.2 1.0 CE2 A:PHE349 4.2 51.2 1.0 CG A:HIS435 4.3 50.3 1.0 S1 A:G581 4.4 68.0 1.0 C22 A:G581 4.4 70.8 1.0 CE1 A:HIS435 4.4 50.0 1.0 CZ2 A:TRP457 4.5 46.0 1.0 CG1 A:ILE309 4.6 44.0 1.0 C5 A:G581 4.6 63.8 1.0 C6 A:G581 4.7 61.0 1.0 C8 A:G581 4.8 57.4 1.0 ND1 A:HIS435 4.9 50.0 1.0

W.J.Zuercher, R.G.Buckholz, N.Campobasso, J.L.Collins, C.M.Galardi, R.T.Gampe, S.M.Hyatt, S.L.Merrihew, J.T.Moore, J.A.Oplinger, P.R.Reid, P.K.Spearing, T.B.Stanley, E.L.Stewart, T.M.Willson. Discovery of Tertiary Sulfonamides As Potent Liver X Receptor Antagonists. J.Med.Chem. V. 53 3412 2010.
ISSN: ISSN 0022-2623
PubMed: 20345102
DOI: 10.1021/JM901797P