Chlorine in PDB 5dxb: Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-P1 and Estradiol

The structure of Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-P1 and Estradiol, PDB code: 5dxb was solved by S.W.Fanning, T.E.Speltz, C.G.Mayne, E.Tajkhorshid, G.L.Greene, T.W.Moore, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.59 / 2.08
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.013, 85.939, 58.272, 90.00, 108.41, 90.00
R / Rfree (%)	17.7 / 21

The binding sites of Chlorine atom in the Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-P1 and Estradiol (pdb code 5dxb). 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 Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-P1 and Estradiol, PDB code: 5dxb:

Chlorine binding site 1 out of 1 in the Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-P1 and Estradiol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-P1 and Estradiol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl604 b:27.1 occ:1.00 O B:HOH718 3.1 21.5 1.0 NH1 B:ARG352 3.1 28.9 1.0 CD B:ARG352 3.7 29.6 1.0 CD2 B:LEU327 3.8 26.3 1.0 CD1 B:LEU327 4.2 24.6 1.0 CZ B:ARG352 4.2 30.3 1.0 CG B:LEU327 4.4 27.8 1.0 NE B:ARG352 4.4 30.3 1.0 CB B:ARG352 4.5 26.5 1.0 CG B:ARG352 4.5 28.3 1.0 CB B:LEU327 4.6 28.6 1.0 O B:HOH731 4.7 23.7 0.8 NE2 B:HIS356 5.0 28.4 1.0

T.E.Speltz, S.W.Fanning, C.G.Mayne, C.Fowler, E.Tajkhorshid, G.L.Greene, T.W.Moore. Stapled Peptides with Gamma-Methylated Hydrocarbon Chains For the Estrogen Receptor/Coactivator Interaction. Angew. Chem. Int. Ed. Engl. V. 55 4252 2016.
ISSN: ESSN 1521-3773
PubMed: 26928945
DOI: 10.1002/ANIE.201510557