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

The structure of Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 3- (((2-Chloro-5-Phenylthieno[2,3-D]Pyrimidin-4-Yl)Amino)Methyl)Phenol and Grip Peptide, PDB code: 7sfo was solved by C.Joyner, V.K.Reddy, T.Wilson, S.W.Fanning, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.75 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.089, 83.286, 58.486, 90, 108.92, 90
R / Rfree (%)	17.7 / 22.6

The binding sites of Chlorine atom in the Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 3- (((2-Chloro-5-Phenylthieno[2,3-D]Pyrimidin-4-Yl)Amino)Methyl)Phenol and Grip Peptide (pdb code 7sfo). 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 in Complex with 3- (((2-Chloro-5-Phenylthieno[2,3-D]Pyrimidin-4-Yl)Amino)Methyl)Phenol and Grip Peptide, PDB code: 7sfo:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 3- (((2-Chloro-5-Phenylthieno[2,3-D]Pyrimidin-4-Yl)Amino)Methyl)Phenol 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 in Complex with 3- (((2-Chloro-5-Phenylthieno[2,3-D]Pyrimidin-4-Yl)Amino)Methyl)Phenol and Grip Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:33.3 occ:1.00 CL1 A:98L601 0.0 33.3 1.0 C10 A:98L601 1.8 25.2 1.0 N1 A:98L601 2.6 26.7 1.0 N2 A:98L601 2.7 21.4 1.0 CD1 A:LEU428 3.5 14.8 1.0 CA A:PHE425 3.5 20.9 1.0 N A:PHE425 3.6 21.4 1.0 CD2 A:PHE425 3.6 30.7 1.0 CZ A:PHE404 3.8 22.2 1.0 C8 A:98L601 3.8 23.0 1.0 CB A:PHE425 3.9 26.5 1.0 C11 A:98L601 3.9 14.8 1.0 CG A:PHE425 4.0 30.2 1.0 CG2 A:ILE424 4.0 19.9 1.0 CD1 A:LEU402 4.1 22.2 1.0 C A:ILE424 4.2 16.8 1.0 CG A:MET421 4.2 30.6 1.0 CE A:MET421 4.3 41.2 1.0 O A:MET421 4.3 24.4 1.0 CE2 A:PHE404 4.4 25.8 1.0 CB A:ILE424 4.4 18.8 1.0 C9 A:98L601 4.4 20.9 1.0 CE2 A:PHE425 4.6 23.4 1.0 O A:ILE424 4.6 19.5 1.0 SD A:MET421 4.8 53.0 1.0 CE1 A:PHE404 4.9 29.0 1.0 CG A:LEU428 4.9 14.3 1.0 C A:PHE425 4.9 18.8 1.0 CA A:ILE424 4.9 21.2 1.0

Chlorine binding site 2 out of 2 in the Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 3- (((2-Chloro-5-Phenylthieno[2,3-D]Pyrimidin-4-Yl)Amino)Methyl)Phenol 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 in Complex with 3- (((2-Chloro-5-Phenylthieno[2,3-D]Pyrimidin-4-Yl)Amino)Methyl)Phenol and Grip Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:27.0 occ:1.00 CL1 B:98L601 0.0 27.0 1.0 C10 B:98L601 1.8 21.8 1.0 N1 B:98L601 2.6 18.8 1.0 N2 B:98L601 2.7 14.5 1.0 CD1 B:LEU428 3.4 11.4 1.0 CA B:PHE425 3.5 15.9 1.0 N B:PHE425 3.6 19.9 1.0 CZ B:PHE404 3.6 12.8 1.0 C8 B:98L601 3.8 20.4 1.0 CD2 B:PHE425 3.8 23.7 1.0 CB B:PHE425 3.8 20.8 1.0 CD1 B:LEU402 3.9 16.3 1.0 C11 B:98L601 3.9 13.5 1.0 CG B:PHE425 4.0 18.0 1.0 CG2 B:ILE424 4.2 16.5 1.0 C B:ILE424 4.2 16.7 1.0 CG B:MET421 4.3 24.7 1.0 CE1 B:PHE404 4.3 14.1 1.0 C9 B:98L601 4.4 14.7 1.0 O B:MET421 4.5 19.9 1.0 O B:ILE424 4.5 13.6 1.0 CB B:ILE424 4.6 19.9 1.0 CE2 B:PHE404 4.7 19.8 1.0 CE2 B:PHE425 4.7 22.8 1.0 CG B:LEU428 4.7 15.9 1.0 SD B:MET421 4.9 32.9 1.0 C B:PHE425 4.9 16.2 1.0 CE B:MET421 5.0 24.4 1.0

S.W.Fanning, C.Joyner, V.K.Reddy, T.Wilson, S.W.Fanning. N/A N/A.