Chlorine in PDB 1nde: Estrogen Receptor Beta with Selective Triazine Modulator

The structure of Estrogen Receptor Beta with Selective Triazine Modulator, PDB code: 1nde was solved by B.R.Henke, T.G.Consler, N.Go, R.L.Hale, D.R.Hohman, S.A.Jones, A.T.Lu, L.B.Moore, J.T.Moore, L.A.Orband-Miller, R.G.Robinett, J.Shearin, P.K.Spearing, E.L.Stewart, P.S.Turnbull, S.L.Weaver, S.P.Williams, G.B.Wisely, M.H.Lambert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.00
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	65.558, 65.558, 239.300, 90.00, 90.00, 120.00
R / Rfree (%)	24 / 27.3

The binding sites of Chlorine atom in the Estrogen Receptor Beta with Selective Triazine Modulator (pdb code 1nde). 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 Estrogen Receptor Beta with Selective Triazine Modulator, PDB code: 1nde:

Chlorine binding site 1 out of 1 in the Estrogen Receptor Beta with Selective Triazine Modulator


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Estrogen Receptor Beta with Selective Triazine Modulator within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl101 b:66.7 occ:1.00 CL33 A:MON101 0.0 66.7 1.0 C32 A:MON101 1.7 73.0 1.0 C30 A:MON101 2.7 76.0 1.0 C29 A:MON101 2.7 76.2 1.0 CD1 A:LEU380 3.3 39.0 1.0 CE A:MET340 3.5 53.5 1.0 CG2 A:ILE376 3.6 49.0 1.0 CZ A:PHE356 4.0 52.9 1.0 C27 A:MON101 4.0 79.0 1.0 CE2 A:PHE356 4.0 55.2 1.0 C26 A:MON101 4.1 84.1 1.0 CG A:LEU380 4.4 45.1 1.0 CD2 A:LEU343 4.4 35.2 1.0 C23 A:MON101 4.6 82.7 1.0 CB A:ILE376 4.7 60.5 1.0 CD2 A:LEU380 4.7 40.2 1.0 C17 A:MON101 4.8 63.9 1.0 CD1 A:ILE376 4.8 61.8 1.0 CE2 A:PHE377 4.8 57.6 1.0

B.R.Henke, T.G.Consler, N.Go, R.L.Hale, D.R.Hohman, S.A.Jones, A.T.Lu, L.B.Moore, J.T.Moore, L.A.Orband-Miller, R.G.Robinett, J.Shearin, P.K.Spearing, E.L.Stewart, P.S.Turnbull, S.L.Weaver, S.P.Williams, G.B.Wisely, M.H.Lambert. A New Series of Estrogen Receptor Modulators That Display Selectivity For Estrogen Receptor Beta J.Med.Chem. V. 45 5492 2002.
ISSN: ISSN 0022-2623
PubMed: 12459017
DOI: 10.1021/JM020291H