Chlorine in PDB 7rnm: Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 2-(2-Chloro-5-Phenylthieno[2,3-D]Pyrimidin-4-Yl)Isoindolin-5-Ol and Grip Peptide

The structure of Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 2-(2-Chloro-5-Phenylthieno[2,3-D]Pyrimidin-4-Yl)Isoindolin-5-Ol and Grip Peptide, PDB code: 7rnm was solved by C.Joiner, V.K.R.Sammeta, J.D.Norris, D.P.Mcdonnell, T.M.Willson, S.W.Fanning, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.44 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.094, 83.456, 58.42, 90, 108.52, 90
R / Rfree (%)	18.5 / 22.1

The binding sites of Chlorine atom in the Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 2-(2-Chloro-5-Phenylthieno[2,3-D]Pyrimidin-4-Yl)Isoindolin-5-Ol and Grip Peptide (pdb code 7rnm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 2-(2-Chloro-5-Phenylthieno[2,3-D]Pyrimidin-4-Yl)Isoindolin-5-Ol and Grip Peptide, PDB code: 7rnm:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 2-(2-Chloro-5-Phenylthieno[2,3-D]Pyrimidin-4-Yl)Isoindolin-5-Ol and Grip Peptide


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 2-(2-Chloro-5-Phenylthieno[2,3-D]Pyrimidin-4-Yl)Isoindolin-5-Ol and Grip Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:49.7 occ:1.00 CL1 A:61Z601 0.0 49.7 1.0 C1 A:61Z601 1.8 47.0 1.0 N3 A:61Z601 2.7 45.7 1.0 N1 A:61Z601 2.7 30.8 1.0 CD1 A:LEU428 3.5 22.6 1.0 CZ A:PHE404 3.6 27.0 1.0 CD2 A:PHE425 3.8 35.1 1.0 C20 A:61Z601 3.9 53.7 1.0 CA A:PHE425 3.9 28.5 1.0 C2 A:61Z601 3.9 35.2 1.0 N A:PHE425 3.9 29.0 1.0 CB A:PHE425 4.1 33.1 1.0 CE1 A:PHE404 4.3 31.1 1.0 CG A:PHE425 4.3 29.2 1.0 CD1 A:LEU402 4.4 27.7 1.0 C11 A:61Z601 4.4 42.0 1.0 C A:ILE424 4.5 28.6 1.0 O A:MET421 4.6 39.4 1.0 CG2 A:ILE424 4.6 34.8 1.0 CB A:ILE424 4.6 43.0 1.0 CE2 A:PHE404 4.6 27.8 1.0 CE2 A:PHE425 4.7 31.9 1.0 CG A:LEU428 4.9 18.6 1.0 O A:ILE424 4.9 27.0 1.0

Chlorine binding site 2 out of 2 in the Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 2-(2-Chloro-5-Phenylthieno[2,3-D]Pyrimidin-4-Yl)Isoindolin-5-Ol and Grip Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 2-(2-Chloro-5-Phenylthieno[2,3-D]Pyrimidin-4-Yl)Isoindolin-5-Ol and Grip Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:54.8 occ:1.00 CL1 B:61Z601 0.0 54.8 1.0 C1 B:61Z601 1.8 30.6 1.0 N3 B:61Z601 2.6 34.5 1.0 N1 B:61Z601 2.7 28.4 1.0 CD1 B:LEU428 3.2 16.3 1.0 N B:PHE425 3.4 16.1 1.0 CA B:PHE425 3.5 15.6 1.0 CG2 B:ILE424 3.7 20.8 1.0 CZ B:PHE404 3.8 13.2 1.0 C20 B:61Z601 3.8 40.5 1.0 C B:ILE424 3.9 16.1 1.0 C2 B:61Z601 4.0 23.8 1.0 CB B:PHE425 4.0 17.3 1.0 CD2 B:PHE425 4.0 21.2 1.0 CD1 B:LEU402 4.0 14.8 1.0 CE B:MET421 4.1 30.5 1.0 CB B:ILE424 4.2 22.4 1.0 O B:ILE424 4.3 12.9 1.0 CG B:PHE425 4.3 24.6 1.0 O B:MET421 4.3 20.7 1.0 CG B:MET421 4.3 29.1 1.0 C11 B:61Z601 4.5 37.0 1.0 CG B:LEU428 4.5 17.3 1.0 CE1 B:PHE404 4.5 13.6 1.0 CA B:ILE424 4.7 18.9 1.0 CE2 B:PHE404 4.7 20.1 1.0 C B:PHE425 4.8 17.9 1.0 CE2 B:PHE425 4.9 29.7 1.0

S.W.Fanning, C.Joiner, V.K.R.Sammeta, J.D.Norris, D.P.Mcdonnell, T.M.Willson, S.W.Fanning. N/A N/A.