Chlorine in PDB 1l2i: Human Estrogen Receptor Alpha Ligand-Binding Domain in Complex with (R,R)-5,11-Cis-Diethyl-5,6,11,12-Tetrahydrochrysene-2,8-Diol and A Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide

The structure of Human Estrogen Receptor Alpha Ligand-Binding Domain in Complex with (R,R)-5,11-Cis-Diethyl-5,6,11,12-Tetrahydrochrysene-2,8-Diol and A Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide, PDB code: 1l2i was solved by A.K.Shiau, D.Barstad, J.T.Radek, M.J.Meyers, K.W.Nettles, B.S.Katzenellenbogen, J.A.Katzenellenbogen, D.A.Agard, G.L.Greene, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.80 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.545, 82.600, 59.040, 90.00, 111.53, 90.00
R / Rfree (%)	20.3 / 24.3

The binding sites of Chlorine atom in the Human Estrogen Receptor Alpha Ligand-Binding Domain in Complex with (R,R)-5,11-Cis-Diethyl-5,6,11,12-Tetrahydrochrysene-2,8-Diol and A Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide (pdb code 1l2i). 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 Human Estrogen Receptor Alpha Ligand-Binding Domain in Complex with (R,R)-5,11-Cis-Diethyl-5,6,11,12-Tetrahydrochrysene-2,8-Diol and A Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide, PDB code: 1l2i:

Chlorine binding site 1 out of 1 in the Human Estrogen Receptor Alpha Ligand-Binding Domain in Complex with (R,R)-5,11-Cis-Diethyl-5,6,11,12-Tetrahydrochrysene-2,8-Diol and A Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Estrogen Receptor Alpha Ligand-Binding Domain in Complex with (R,R)-5,11-Cis-Diethyl-5,6,11,12-Tetrahydrochrysene-2,8-Diol and A Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:24.9 occ:1.00 O A:HOH2 3.1 22.1 1.0 NH1 A:ARG352 3.1 20.2 1.0 CD A:ARG352 3.7 19.8 1.0 CD2 A:LEU327 3.9 17.8 1.0 CZ A:ARG352 4.2 19.5 1.0 CD1 A:LEU327 4.3 22.6 1.0 NE A:ARG352 4.4 21.3 1.0 CB A:ARG352 4.5 20.6 1.0 CG A:LEU327 4.5 22.7 1.0 CG A:ARG352 4.5 22.0 1.0 CB A:LEU327 4.6 24.3 1.0 O A:HOH109 4.8 24.6 1.0 NE2 A:HIS356 5.0 24.2 1.0

A.K.Shiau, D.Barstad, J.T.Radek, M.J.Meyers, K.W.Nettles, B.S.Katzenellenbogen, J.A.Katzenellenbogen, D.A.Agard, G.L.Greene. Structural Characterization of A Subtype-Selective Ligand Reveals A Novel Mode of Estrogen Receptor Antagonism. Nat.Struct.Biol. V. 9 359 2002.
ISSN: ISSN 1072-8368
PubMed: 11953755