Chlorine in PDB 6vpf: Estrogen Receptor Alpha Ligand Binding Domain in Complex with the Selective Estrogen Receptor Modulator Clomiphene

The structure of Estrogen Receptor Alpha Ligand Binding Domain in Complex with the Selective Estrogen Receptor Modulator Clomiphene, PDB code: 6vpf was solved by S.W.Fanning, G.L.Greene, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.69 / 1.60
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	58.330, 58.330, 275.880, 90.00, 90.00, 120.00
R / Rfree (%)	20.1 / 23.4

The binding sites of Chlorine atom in the Estrogen Receptor Alpha Ligand Binding Domain in Complex with the Selective Estrogen Receptor Modulator Clomiphene (pdb code 6vpf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Estrogen Receptor Alpha Ligand Binding Domain in Complex with the Selective Estrogen Receptor Modulator Clomiphene, PDB code: 6vpf:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Estrogen Receptor Alpha Ligand Binding Domain in Complex with the Selective Estrogen Receptor Modulator Clomiphene


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 in Complex with the Selective Estrogen Receptor Modulator Clomiphene within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:38.0 occ:1.00 CL B:53Q601 0.0 38.0 1.0 C13 B:53Q601 1.7 20.6 1.0 C12 B:53Q601 2.7 15.7 1.0 C14 B:53Q601 2.8 21.0 1.0 C20 B:53Q601 3.1 14.6 1.0 C25 B:53Q601 3.1 11.3 1.0 C15 B:53Q601 3.3 22.8 1.0 CD1 B:LEU428 3.9 10.2 1.0 CE1 B:PHE404 3.9 21.5 1.0 C19 B:53Q601 3.9 22.6 1.0 C9 B:53Q601 4.1 17.4 1.0 CZ B:PHE404 4.1 14.2 1.0 C24 B:53Q601 4.3 9.0 1.0 C21 B:53Q601 4.3 13.1 1.0 CD1 B:LEU346 4.3 16.5 1.0 CE B:MET388 4.4 15.9 1.0 CD2 B:LEU391 4.4 15.8 1.0 CG2 B:ILE424 4.6 18.0 1.0 C16 B:53Q601 4.6 23.8 1.0 C10 B:53Q601 4.8 21.0 1.0 CE1 B:PHE425 4.9 24.9 1.0 CG B:MET388 5.0 8.7 1.0

Chlorine binding site 2 out of 4 in the Estrogen Receptor Alpha Ligand Binding Domain in Complex with the Selective Estrogen Receptor Modulator Clomiphene


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 in Complex with the Selective Estrogen Receptor Modulator Clomiphene within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:30.7 occ:1.00 CL A:53Q601 0.0 30.7 1.0 C13 A:53Q601 1.7 23.0 1.0 C12 A:53Q601 2.7 16.6 1.0 C14 A:53Q601 2.8 22.3 1.0 C20 A:53Q601 3.1 16.0 1.0 C25 A:53Q601 3.1 15.7 1.0 C15 A:53Q601 3.2 25.5 1.0 CD1 A:LEU428 3.8 13.3 1.0 C19 A:53Q601 3.9 25.7 1.0 CE1 A:PHE404 3.9 18.9 1.0 C9 A:53Q601 4.1 17.5 1.0 CZ A:PHE404 4.2 22.2 1.0 CE A:MET388 4.2 13.9 1.0 C21 A:53Q601 4.3 14.8 1.0 C24 A:53Q601 4.3 12.1 1.0 CD2 A:LEU391 4.4 11.2 1.0 C16 A:53Q601 4.6 24.1 1.0 CD1 A:LEU346 4.6 23.0 1.0 CG2 A:ILE424 4.6 15.9 1.0 C10 A:53Q601 4.8 21.8 1.0 CE1 A:PHE425 4.8 22.4 1.0 CG A:MET388 4.9 8.2 1.0

Chlorine binding site 3 out of 4 in the Estrogen Receptor Alpha Ligand Binding Domain in Complex with the Selective Estrogen Receptor Modulator Clomiphene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Estrogen Receptor Alpha Ligand Binding Domain in Complex with the Selective Estrogen Receptor Modulator Clomiphene within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl601 b:33.7 occ:1.00 CL C:53Q601 0.0 33.7 1.0 C13 C:53Q601 1.7 20.2 1.0 C12 C:53Q601 2.7 15.9 1.0 C14 C:53Q601 2.8 22.2 1.0 C20 C:53Q601 3.1 16.9 1.0 C25 C:53Q601 3.1 13.3 1.0 C15 C:53Q601 3.3 23.3 1.0 CD1 C:LEU428 3.8 11.5 1.0 C19 C:53Q601 3.9 26.1 1.0 CE1 C:PHE404 4.0 20.6 1.0 C9 C:53Q601 4.2 14.6 1.0 CZ C:PHE404 4.2 17.1 1.0 CE C:MET388 4.2 10.1 1.0 C24 C:53Q601 4.3 9.4 1.0 C21 C:53Q601 4.3 13.6 1.0 CD2 C:LEU391 4.3 13.7 1.0 CD1 C:LEU346 4.4 20.4 1.0 C16 C:53Q601 4.6 26.5 1.0 CG2 C:ILE424 4.6 13.8 1.0 CE1 C:PHE425 4.8 23.8 1.0 C10 C:53Q601 4.9 19.6 1.0 CG C:MET388 4.9 10.3 1.0

Chlorine binding site 4 out of 4 in the Estrogen Receptor Alpha Ligand Binding Domain in Complex with the Selective Estrogen Receptor Modulator Clomiphene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Estrogen Receptor Alpha Ligand Binding Domain in Complex with the Selective Estrogen Receptor Modulator Clomiphene within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl601 b:31.8 occ:1.00 CL D:53Q601 0.0 31.8 1.0 C13 D:53Q601 1.7 26.2 1.0 C12 D:53Q601 2.7 21.4 1.0 C14 D:53Q601 2.8 28.3 1.0 C20 D:53Q601 3.1 18.0 1.0 C21 D:53Q601 3.2 12.6 1.0 C15 D:53Q601 3.3 28.1 1.0 C19 D:53Q601 3.9 30.6 1.0 CD1 D:LEU428 3.9 9.5 1.0 CE1 D:PHE404 4.0 21.3 1.0 C9 D:53Q601 4.2 20.2 1.0 CZ D:PHE404 4.2 19.8 1.0 C25 D:53Q601 4.3 15.5 1.0 C22 D:53Q601 4.3 9.3 1.0 CE D:MET388 4.4 12.5 1.0 CD1 D:LEU346 4.5 22.2 1.0 CG2 D:ILE424 4.5 14.7 1.0 CD2 D:LEU391 4.5 13.7 1.0 C16 D:53Q601 4.6 28.4 1.0 CE1 D:PHE425 4.6 22.3 1.0 C10 D:53Q601 4.9 21.4 1.0

S.W.Fanning, S.W.Fanning, G.L.Greene. N/A N/A.