Fluorine in PDB 6owc: Mutant Estrogen Receptor Alpha (Era) Y537S Covalently Bound to H3B- 6545.

The structure of Mutant Estrogen Receptor Alpha (Era) Y537S Covalently Bound to H3B- 6545., PDB code: 6owc was solved by N.A.Larsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	73.16 / 1.85
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	83.460, 83.460, 151.980, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 22.6

The binding sites of Fluorine atom in the Mutant Estrogen Receptor Alpha (Era) Y537S Covalently Bound to H3B- 6545. (pdb code 6owc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Mutant Estrogen Receptor Alpha (Era) Y537S Covalently Bound to H3B- 6545., PDB code: 6owc:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in the Mutant Estrogen Receptor Alpha (Era) Y537S Covalently Bound to H3B- 6545.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Mutant Estrogen Receptor Alpha (Era) Y537S Covalently Bound to H3B- 6545. within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:28.9 occ:1.00 F2 A:ND1601 0.0 28.9 1.0 C17 A:ND1601 1.3 25.6 1.0 F1 A:ND1601 2.1 31.4 1.0 F3 A:ND1601 2.2 29.2 1.0 C16 A:ND1601 2.3 23.3 1.0 C15 A:ND1601 2.9 23.8 1.0 C30 A:ND1601 3.4 21.9 1.0 C18 A:ND1601 3.5 26.5 1.0 C14 A:ND1601 3.6 22.1 1.0 CE A:MET388 3.6 20.7 1.0 C19 A:ND1601 3.7 26.6 1.0 C24 A:ND1601 3.9 22.4 1.0 CD1 A:LEU428 4.0 21.7 1.0 CG2 A:ILE424 4.1 43.0 1.0 C23 A:ND1601 4.5 29.4 1.0 C29 A:ND1601 4.5 21.8 1.0 CD1 A:LEU384 4.6 23.7 1.0 CG A:MET388 4.6 18.6 1.0 F4 A:ND1601 4.7 24.2 1.0 C20 A:ND1601 4.8 31.6 1.0 C12 A:ND1601 4.8 22.7 1.0 CE1 A:PHE404 4.9 22.3 1.0 SD A:MET388 5.0 21.5 1.0

Fluorine binding site 2 out of 8 in the Mutant Estrogen Receptor Alpha (Era) Y537S Covalently Bound to H3B- 6545.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Mutant Estrogen Receptor Alpha (Era) Y537S Covalently Bound to H3B- 6545. within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:29.2 occ:1.00 F3 A:ND1601 0.0 29.2 1.0 C17 A:ND1601 1.4 25.6 1.0 F2 A:ND1601 2.2 28.9 1.0 F1 A:ND1601 2.2 31.4 1.0 C16 A:ND1601 2.3 23.3 1.0 CD1 A:LEU428 3.4 21.7 1.0 CZ A:PHE404 3.5 24.7 1.0 C15 A:ND1601 3.6 23.8 1.0 CE1 A:PHE404 3.8 22.3 1.0 CG A:MET421 4.2 51.1 1.0 CG2 A:ILE424 4.3 43.0 1.0 C18 A:ND1601 4.3 26.5 1.0 C30 A:ND1601 4.4 21.9 1.0 CD2 A:LEU391 4.5 22.4 1.0 C14 A:ND1601 4.6 22.1 1.0 C24 A:ND1601 4.8 22.4 1.0 CE2 A:PHE404 4.8 24.1 1.0 C23 A:ND1601 4.8 29.4 1.0 SD A:MET421 4.8 50.8 1.0 CG A:LEU428 4.9 20.1 1.0 CD1 A:LEU402 4.9 24.8 1.0

Fluorine binding site 3 out of 8 in the Mutant Estrogen Receptor Alpha (Era) Y537S Covalently Bound to H3B- 6545.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Mutant Estrogen Receptor Alpha (Era) Y537S Covalently Bound to H3B- 6545. within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:31.4 occ:1.00 F1 A:ND1601 0.0 31.4 1.0 C17 A:ND1601 1.3 25.6 1.0 F2 A:ND1601 2.1 28.9 1.0 F3 A:ND1601 2.2 29.2 1.0 C16 A:ND1601 2.3 23.3 1.0 C18 A:ND1601 2.9 26.5 1.0 C15 A:ND1601 3.0 23.8 1.0 C23 A:ND1601 3.2 29.4 1.0 C19 A:ND1601 3.4 26.6 1.0 CG2 A:ILE424 3.5 43.0 1.0 CG A:MET421 3.7 51.1 1.0 C22 A:ND1601 4.0 33.3 1.0 C20 A:ND1601 4.1 31.6 1.0 CB A:ILE424 4.1 38.0 1.0 CD1 A:ILE424 4.3 51.2 1.0 C21 A:ND1601 4.3 31.4 1.0 C14 A:ND1601 4.3 22.1 1.0 CA A:MET421 4.5 52.7 1.0 CB A:MET421 4.5 52.2 1.0 SD A:MET421 4.5 50.8 1.0 CD1 A:LEU428 4.6 21.7 1.0 CG1 A:ILE424 4.8 48.0 1.0 O A:MET421 4.9 38.8 1.0 CE A:MET388 4.9 20.7 1.0

Fluorine binding site 4 out of 8 in the Mutant Estrogen Receptor Alpha (Era) Y537S Covalently Bound to H3B- 6545.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Mutant Estrogen Receptor Alpha (Era) Y537S Covalently Bound to H3B- 6545. within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:24.2 occ:1.00 F4 A:ND1601 0.0 24.2 1.0 C28 A:ND1601 1.4 24.1 1.0 N5 A:ND1601 2.4 22.8 1.0 C29 A:ND1601 2.4 21.8 1.0 C30 A:ND1601 3.1 21.9 1.0 O A:LEU387 3.1 16.5 1.0 C A:LEU387 3.2 19.1 1.0 CD2 A:LEU391 3.3 22.4 1.0 CB A:LEU391 3.4 19.8 1.0 N A:MET388 3.4 17.5 1.0 CA A:MET388 3.4 17.4 1.0 N4 A:ND1601 3.4 23.9 1.0 C27 A:ND1601 3.5 22.7 1.0 CB A:LEU387 3.7 20.1 1.0 CG A:MET388 3.9 18.6 1.0 CG A:LEU391 3.9 20.6 1.0 CA A:LEU387 4.1 18.5 1.0 CB A:MET388 4.3 17.5 1.0 C A:MET388 4.4 17.6 1.0 C24 A:ND1601 4.5 22.4 1.0 CD1 A:LEU391 4.6 21.4 1.0 CE1 A:PHE404 4.6 22.3 1.0 CA A:LEU391 4.6 20.2 1.0 O A:HOH760 4.7 28.9 1.0 O A:MET388 4.7 16.9 1.0 F2 A:ND1601 4.7 28.9 1.0 C26 A:ND1601 4.7 21.5 1.0 N A:LEU391 4.7 18.2 1.0 CG A:LEU387 4.9 21.6 1.0

Fluorine binding site 5 out of 8 in the Mutant Estrogen Receptor Alpha (Era) Y537S Covalently Bound to H3B- 6545.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Mutant Estrogen Receptor Alpha (Era) Y537S Covalently Bound to H3B- 6545. within 5.0Å range: probe atom residue distance (Å) B Occ B:F601 b:27.8 occ:1.00 F2 B:ND1601 0.0 27.8 1.0 C17 B:ND1601 1.3 30.9 1.0 F1 B:ND1601 2.0 33.0 1.0 F3 B:ND1601 2.1 32.3 1.0 C16 B:ND1601 2.3 26.4 1.0 C15 B:ND1601 2.9 29.6 1.0 C30 B:ND1601 3.4 25.9 1.0 C18 B:ND1601 3.5 30.2 1.0 CE B:MET388 3.5 23.6 1.0 C14 B:ND1601 3.6 27.4 1.0 C19 B:ND1601 3.6 31.9 1.0 C24 B:ND1601 3.9 29.7 1.0 CD1 B:LEU428 3.9 28.2 1.0 CG2 B:ILE424 4.0 37.7 1.0 C29 B:ND1601 4.5 25.5 1.0 C23 B:ND1601 4.5 39.7 1.0 C20 B:ND1601 4.7 32.4 1.0 F4 B:ND1601 4.8 27.9 1.0 CG B:MET388 4.8 21.8 1.0 C12 B:ND1601 4.8 27.8 1.0 CD1 B:LEU384 4.8 26.3 1.0 SD B:MET388 4.9 23.8 1.0 CE2 B:PHE404 5.0 36.4 1.0 C28 B:ND1601 5.0 27.0 1.0

Fluorine binding site 6 out of 8 in the Mutant Estrogen Receptor Alpha (Era) Y537S Covalently Bound to H3B- 6545.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Mutant Estrogen Receptor Alpha (Era) Y537S Covalently Bound to H3B- 6545. within 5.0Å range: probe atom residue distance (Å) B Occ B:F601 b:32.3 occ:1.00 F3 B:ND1601 0.0 32.3 1.0 C17 B:ND1601 1.2 30.9 1.0 F1 B:ND1601 2.0 33.0 1.0 F2 B:ND1601 2.1 27.8 1.0 C16 B:ND1601 2.2 26.4 1.0 CD1 B:LEU428 3.3 28.2 1.0 C15 B:ND1601 3.6 29.6 1.0 CE1 B:PHE425 3.6 50.8 1.0 CZ B:PHE404 3.7 33.1 1.0 CD1 B:PHE425 3.8 42.6 1.0 CE2 B:PHE404 4.0 36.4 1.0 CG2 B:ILE424 4.1 37.7 1.0 C18 B:ND1601 4.3 30.2 1.0 C30 B:ND1601 4.4 25.9 1.0 C14 B:ND1601 4.6 27.4 1.0 CG B:MET421 4.6 44.2 1.0 CZ B:PHE425 4.7 51.7 1.0 CD2 B:LEU391 4.7 26.6 1.0 C24 B:ND1601 4.7 29.7 1.0 CG B:LEU428 4.8 29.9 1.0 C23 B:ND1601 4.8 39.7 1.0 CB B:ILE424 4.8 40.3 1.0 CE1 B:PHE404 4.9 34.0 1.0 C19 B:ND1601 4.9 31.9 1.0

Fluorine binding site 7 out of 8 in the Mutant Estrogen Receptor Alpha (Era) Y537S Covalently Bound to H3B- 6545.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Mutant Estrogen Receptor Alpha (Era) Y537S Covalently Bound to H3B- 6545. within 5.0Å range: probe atom residue distance (Å) B Occ B:F601 b:33.0 occ:1.00 F1 B:ND1601 0.0 33.0 1.0 C17 B:ND1601 1.2 30.9 1.0 F2 B:ND1601 2.0 27.8 1.0 F3 B:ND1601 2.0 32.3 1.0 C16 B:ND1601 2.3 26.4 1.0 C18 B:ND1601 2.9 30.2 1.0 C15 B:ND1601 2.9 29.6 1.0 C23 B:ND1601 3.3 39.7 1.0 C19 B:ND1601 3.3 31.9 1.0 CG2 B:ILE424 3.5 37.7 1.0 CG B:MET421 3.9 44.2 1.0 CB B:ILE424 4.0 40.3 1.0 C22 B:ND1601 4.0 40.2 1.0 CD1 B:ILE424 4.1 46.9 1.0 C20 B:ND1601 4.1 32.4 1.0 C14 B:ND1601 4.2 27.4 1.0 C21 B:ND1601 4.4 39.3 1.0 SD B:MET421 4.5 45.4 1.0 CD1 B:LEU428 4.6 28.2 1.0 CE1 B:PHE425 4.6 50.8 1.0 CG1 B:ILE424 4.6 43.1 1.0 CD1 B:PHE425 4.7 42.6 1.0 CE B:MET388 4.8 23.6 1.0 C30 B:ND1601 4.9 25.9 1.0 O B:MET421 4.9 46.5 1.0 C24 B:ND1601 5.0 29.7 1.0

Fluorine binding site 8 out of 8 in the Mutant Estrogen Receptor Alpha (Era) Y537S Covalently Bound to H3B- 6545.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Mutant Estrogen Receptor Alpha (Era) Y537S Covalently Bound to H3B- 6545. within 5.0Å range: probe atom residue distance (Å) B Occ B:F601 b:27.9 occ:1.00 F4 B:ND1601 0.0 27.9 1.0 C28 B:ND1601 1.4 27.0 1.0 N5 B:ND1601 2.3 27.2 1.0 C29 B:ND1601 2.5 25.5 1.0 O B:LEU387 3.1 23.9 1.0 C B:LEU387 3.2 22.4 1.0 C30 B:ND1601 3.3 25.9 1.0 CB B:LEU391 3.3 25.3 1.0 CA B:MET388 3.3 20.8 1.0 CD2 B:LEU391 3.3 26.6 1.0 N B:MET388 3.3 23.0 1.0 N4 B:ND1601 3.4 26.1 1.0 C27 B:ND1601 3.5 28.1 1.0 CB B:LEU387 3.8 22.9 1.0 CG B:MET388 3.9 21.8 1.0 CG B:LEU391 3.9 28.5 1.0 CA B:LEU387 4.1 22.8 1.0 CB B:MET388 4.2 22.1 1.0 C B:MET388 4.3 20.8 1.0 CA B:LEU391 4.5 27.3 1.0 O B:MET388 4.5 20.6 1.0 N B:LEU391 4.6 24.0 1.0 CE2 B:PHE404 4.6 36.4 1.0 C24 B:ND1601 4.6 29.7 1.0 O B:HOH744 4.7 27.4 1.0 CD1 B:LEU391 4.7 27.2 1.0 C26 B:ND1601 4.7 26.2 1.0 F2 B:ND1601 4.8 27.8 1.0 CD2 B:PHE404 5.0 36.2 1.0

C.Furman, N.A.Larsen. N/A N/A.