Fluorine in PDB 6v8t: Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102

The structure of Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102, PDB code: 6v8t 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)	42.17 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	105.370, 53.676, 96.848, 90.00, 113.74, 90.00
R / Rfree (%)	20.7 / 25.6

The binding sites of Fluorine atom in the Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102 (pdb code 6v8t). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102, PDB code: 6v8t:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102 within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:65.0 occ:1.00 F29 A:C6V601 0.0 65.0 1.0 C26 A:C6V601 1.3 38.9 1.0 C27 A:C6V601 2.3 29.2 1.0 C25 A:C6V601 2.5 28.3 1.0 CA A:GLY521 3.1 39.6 1.0 CG1 A:ILE424 3.2 38.5 1.0 CG2 A:ILE424 3.5 35.5 1.0 O A:GLY521 3.7 44.7 1.0 CB A:HIS524 3.7 56.2 1.0 CD1 A:ILE424 3.7 51.3 1.0 C28 A:C6V601 3.7 24.2 1.0 CB A:ILE424 3.7 39.9 1.0 C24 A:C6V601 3.7 27.0 1.0 C A:GLY521 3.8 41.8 1.0 CG A:HIS524 4.1 61.7 1.0 N A:GLY521 4.1 38.6 1.0 O A:LYS520 4.2 44.4 1.0 C13 A:C6V601 4.2 27.3 1.0 ND1 A:HIS524 4.4 65.8 1.0 SD A:MET421 4.5 80.4 1.0 C A:LYS520 4.5 41.1 1.0 CG A:MET421 4.6 53.0 1.0 CD2 A:HIS524 4.9 65.3 1.0 F31 A:C6V601 4.9 50.0 1.0 CA A:HIS524 5.0 58.1 1.0

Fluorine binding site 2 out of 6 in the Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102 within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:50.0 occ:1.00 F31 A:C6V601 0.0 50.0 1.0 C30 A:C6V601 1.4 38.0 1.0 F33 A:C6V601 2.2 38.9 1.0 C24 A:C6V601 2.4 27.0 1.0 C32 A:C6V601 2.4 38.4 1.0 C25 A:C6V601 2.6 28.3 1.0 C13 A:C6V601 3.8 27.3 1.0 CD1 A:LEU428 3.9 32.1 1.0 CG2 A:ILE424 4.1 35.5 1.0 C26 A:C6V601 4.2 38.9 1.0 CB A:ILE424 4.2 39.9 1.0 N A:PHE425 4.3 39.1 1.0 SD A:MET421 4.3 80.4 1.0 CE A:MET421 4.4 50.4 1.0 CZ A:PHE404 4.4 33.3 1.0 CD2 A:PHE425 4.5 53.9 1.0 O A:MET421 4.5 57.4 1.0 CA A:PHE425 4.5 38.9 1.0 C9 A:C6V601 4.6 33.5 1.0 CB A:MET421 4.6 57.3 1.0 C A:ILE424 4.7 42.4 1.0 CB A:PHE425 4.7 42.6 1.0 CE1 A:PHE404 4.8 27.6 1.0 C28 A:C6V601 4.9 24.2 1.0 F29 A:C6V601 4.9 65.0 1.0 S8 A:C6V601 5.0 30.9 1.0

Fluorine binding site 3 out of 6 in the Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102 within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:38.9 occ:1.00 F33 A:C6V601 0.0 38.9 1.0 C30 A:C6V601 1.3 38.0 1.0 F31 A:C6V601 2.2 50.0 1.0 C24 A:C6V601 2.3 27.0 1.0 C32 A:C6V601 2.4 38.4 1.0 S8 A:C6V601 3.0 30.9 1.0 C13 A:C6V601 3.0 27.3 1.0 C9 A:C6V601 3.1 33.5 1.0 CD1 A:LEU428 3.3 32.1 1.0 CE1 A:PHE404 3.3 27.6 1.0 CZ A:PHE404 3.4 33.3 1.0 C25 A:C6V601 3.4 28.3 1.0 CD2 A:LEU391 4.1 27.6 1.0 C28 A:C6V601 4.3 24.2 1.0 C5 A:C6V601 4.3 22.2 1.0 C6 A:C6V601 4.4 32.1 1.0 C10 A:C6V601 4.4 36.3 1.0 CD1 A:PHE404 4.6 26.9 1.0 C26 A:C6V601 4.7 38.9 1.0 CG A:LEU428 4.8 29.9 1.0 CE2 A:PHE404 4.8 38.9 1.0 CD1 A:LEU402 4.9 38.5 1.0 O12 A:C6V601 4.9 39.6 1.0 CG2 A:ILE424 4.9 35.5 1.0 C4 A:C6V601 5.0 20.7 1.0

Fluorine binding site 4 out of 6 in the Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102 within 5.0Å range: probe atom residue distance (Å) B Occ B:F601 b:53.8 occ:1.00 F29 B:C6V601 0.0 53.8 1.0 C26 B:C6V601 1.3 35.0 1.0 C27 B:C6V601 2.3 30.7 1.0 C25 B:C6V601 2.5 25.0 1.0 CD1 B:ILE424 2.9 44.2 1.0 CA B:GLY521 3.4 37.1 1.0 C28 B:C6V601 3.7 28.4 1.0 C24 B:C6V601 3.7 18.6 1.0 CB B:HIS524 3.8 44.4 1.0 ND1 B:HIS524 3.8 55.0 1.0 CG1 B:ILE424 3.9 45.6 1.0 CG B:HIS524 4.0 51.0 1.0 CB B:ILE424 4.0 41.8 1.0 O B:GLY521 4.0 34.9 1.0 CG2 B:ILE424 4.1 38.1 1.0 CG B:MET421 4.2 61.4 1.0 C13 B:C6V601 4.2 24.9 1.0 C B:GLY521 4.2 32.6 1.0 N B:GLY521 4.3 30.3 1.0 CE B:MET421 4.3 65.1 1.0 O B:LYS520 4.4 38.4 1.0 C B:LYS520 4.7 31.1 1.0 CE1 B:HIS524 4.8 56.8 1.0 CG B:LEU525 4.8 38.8 1.0 N B:LEU525 4.9 48.5 1.0 C32 B:C6V601 5.0 21.7 1.0

Fluorine binding site 5 out of 6 in the Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102 within 5.0Å range: probe atom residue distance (Å) B Occ B:F601 b:25.2 occ:1.00 F31 B:C6V601 0.0 25.2 1.0 C30 B:C6V601 1.3 30.6 1.0 F33 B:C6V601 2.2 47.1 1.0 C24 B:C6V601 2.4 18.6 1.0 C32 B:C6V601 2.4 21.7 1.0 S8 B:C6V601 2.8 41.0 1.0 C13 B:C6V601 3.0 24.9 1.0 CD1 B:LEU428 3.1 29.0 1.0 C9 B:C6V601 3.2 31.9 1.0 CE2 B:PHE404 3.3 35.7 1.0 C25 B:C6V601 3.5 25.0 1.0 CZ B:PHE404 3.6 34.8 1.0 CD2 B:LEU391 4.0 31.7 1.0 C5 B:C6V601 4.1 38.7 1.0 C6 B:C6V601 4.3 21.4 1.0 C28 B:C6V601 4.3 28.4 1.0 C10 B:C6V601 4.4 23.1 1.0 CD2 B:PHE404 4.6 23.8 1.0 CG B:LEU428 4.6 28.0 1.0 C4 B:C6V601 4.7 37.0 1.0 C26 B:C6V601 4.8 35.0 1.0 CD1 B:LEU402 5.0 36.1 1.0 O12 B:C6V601 5.0 27.3 1.0 CE1 B:PHE404 5.0 39.8 1.0

Fluorine binding site 6 out of 6 in the Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102 within 5.0Å range: probe atom residue distance (Å) B Occ B:F601 b:47.1 occ:1.00 F33 B:C6V601 0.0 47.1 1.0 C30 B:C6V601 1.3 30.6 1.0 F31 B:C6V601 2.2 25.2 1.0 C32 B:C6V601 2.4 21.7 1.0 C24 B:C6V601 2.4 18.6 1.0 C13 B:C6V601 3.3 24.9 1.0 C25 B:C6V601 3.3 25.0 1.0 CE2 B:PHE404 3.5 35.7 1.0 C9 B:C6V601 3.5 31.9 1.0 CZ B:PHE404 3.6 34.8 1.0 CD1 B:LEU346 3.9 38.5 1.0 S8 B:C6V601 4.1 41.0 1.0 SD B:MET421 4.2 63.0 1.0 CE B:MET421 4.2 65.1 1.0 O12 B:C6V601 4.3 27.3 1.0 C10 B:C6V601 4.4 23.1 1.0 C28 B:C6V601 4.5 28.4 1.0 C6 B:C6V601 4.6 21.4 1.0 C26 B:C6V601 4.7 35.0 1.0 CD2 B:PHE404 4.7 23.8 1.0 CE1 B:PHE404 4.8 39.8 1.0 CD2 B:PHE425 4.9 49.8 1.0 CG B:MET421 5.0 61.4 1.0

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