Fluorine in PDB 5tgy: uc(Nmr) Structure of Holo-PS1

The structure of uc(Nmr) Structure of Holo-PS1 also contains other interesting chemical elements:

Zinc

(Zn)

20 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the uc(Nmr) Structure of Holo-PS1 (pdb code 5tgy). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the uc(Nmr) Structure of Holo-PS1, PDB code: 5tgy:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in the uc(Nmr) Structure of Holo-PS1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of uc(Nmr) Structure of Holo-PS1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:0.0 occ:1.00 F21A A:7BU201 0.0 0.0 1.0 C1FA A:7BU201 1.3 0.0 1.0 F22A A:7BU201 2.1 0.0 1.0 F23A A:7BU201 2.2 0.0 1.0 HA A:ALA56 2.4 0.0 1.0 CHA A:7BU201 2.4 0.0 1.0 H2A1 A:7BU201 2.7 0.0 1.0 HD12 A:LEU6 2.8 0.0 1.0 HB1 A:ALA56 3.0 0.0 1.0 C1A A:7BU201 3.1 0.0 1.0 C2A A:7BU201 3.2 0.0 1.0 HD1 A:PHE50 3.2 0.0 1.0 CA A:ALA56 3.3 0.0 1.0 H3D1 A:7BU201 3.3 0.0 1.0 HD11 A:LEU6 3.3 0.0 1.0 C4D A:7BU201 3.3 0.0 1.0 HB2 A:ALA56 3.3 0.0 1.0 CB A:ALA56 3.4 0.0 1.0 CD1 A:LEU6 3.5 0.0 1.0 CD1 A:PHE50 3.6 0.0 1.0 C3D A:7BU201 3.6 0.0 1.0 H A:ALA57 3.7 0.0 1.0 HB2 A:PHE50 3.9 0.0 1.0 H A:ALA56 3.9 0.0 1.0 HE1 A:PHE50 4.0 0.0 1.0 HD13 A:LEU6 4.0 0.0 1.0 CE1 A:PHE50 4.0 0.0 1.0 N A:ALA56 4.0 0.0 1.0 CG A:PHE50 4.3 0.0 1.0 NA1 A:7BU201 4.4 0.0 1.0 C A:ALA56 4.4 0.0 1.0 N A:ALA57 4.4 0.0 1.0 HD23 A:LEU6 4.4 0.0 1.0 HB3 A:ALA56 4.4 0.0 1.0 C3A A:7BU201 4.4 0.0 1.0 ND4 A:7BU201 4.6 0.0 1.0 HB2 A:ALA62 4.6 0.0 1.0 CB A:PHE50 4.6 0.0 1.0 HD21 A:LEU6 4.6 0.0 1.0 HE2 A:PHE3 4.7 0.0 1.0 CG A:LEU6 4.8 0.0 1.0 CD2 A:LEU6 4.8 0.0 1.0 HD2 A:PHE3 4.9 0.0 1.0 C2D A:7BU201 4.9 0.0 1.0 CZ A:PHE50 4.9 0.0 1.0

Fluorine binding site 2 out of 12 in the uc(Nmr) Structure of Holo-PS1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of uc(Nmr) Structure of Holo-PS1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:0.0 occ:1.00 F21B A:7BU201 0.0 0.0 1.0 C1FB A:7BU201 1.4 0.0 1.0 F22B A:7BU201 2.2 0.0 1.0 F23B A:7BU201 2.2 0.0 1.0 CHB A:7BU201 2.4 0.0 1.0 H2B1 A:7BU201 2.4 0.0 1.0 HG21 A:VAL69 2.7 0.0 1.0 HB2 A:ARG47 2.7 0.0 1.0 C1B A:7BU201 2.8 0.0 1.0 C2B A:7BU201 2.8 0.0 1.0 HD2 A:ARG47 3.1 0.0 1.0 HG23 A:VAL69 3.2 0.0 1.0 CG2 A:VAL69 3.2 0.0 1.0 HG22 A:VAL69 3.3 0.0 1.0 HG21 A:ILE43 3.3 0.0 1.0 HG3 A:ARG47 3.4 0.0 1.0 HD2 A:HIS46 3.4 0.0 1.0 CB A:ARG47 3.6 0.0 1.0 C4A A:7BU201 3.6 0.0 1.0 CG A:ARG47 3.8 0.0 1.0 HA A:ARG47 3.8 0.0 1.0 HE A:ARG47 3.8 0.0 1.0 CD A:ARG47 3.8 0.0 1.0 H3A1 A:7BU201 4.1 0.0 1.0 O A:GLY65 4.1 0.0 1.0 HG22 A:ILE43 4.1 0.0 1.0 C3B A:7BU201 4.1 0.0 1.0 NB2 A:7BU201 4.1 0.0 1.0 CG2 A:ILE43 4.2 0.0 1.0 CA A:ARG47 4.2 0.0 1.0 NE A:ARG47 4.3 0.0 1.0 C3A A:7BU201 4.3 0.0 1.0 HA A:ASP66 4.3 0.0 1.0 CD2 A:HIS46 4.5 0.0 1.0 HB3 A:ARG47 4.5 0.0 1.0 H A:ARG47 4.5 0.0 1.0 O A:ILE43 4.5 0.0 1.0 C A:GLY65 4.5 0.0 1.0 N A:ARG47 4.6 0.0 1.0 HG23 A:ILE43 4.6 0.0 1.0 CB A:VAL69 4.7 0.0 1.0 HD3 A:ARG47 4.7 0.0 1.0 HA3 A:GLY65 4.7 0.0 1.0 C4B A:7BU201 4.8 0.0 1.0 NA1 A:7BU201 4.8 0.0 1.0 HG2 A:ARG47 4.8 0.0 1.0 H3B1 A:7BU201 4.8 0.0 1.0 HG11 A:VAL69 4.9 0.0 1.0 HA A:ILE43 4.9 0.0 1.0 HB3 A:HIS46 5.0 0.0 1.0

Fluorine binding site 3 out of 12 in the uc(Nmr) Structure of Holo-PS1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of uc(Nmr) Structure of Holo-PS1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:0.0 occ:1.00 F21C A:7BU201 0.0 0.0 1.0 C1FC A:7BU201 1.3 0.0 1.0 F22C A:7BU201 2.1 0.0 1.0 F23C A:7BU201 2.2 0.0 1.0 H3B1 A:7BU201 2.3 0.0 1.0 HD12 A:ILE101 2.4 0.0 1.0 CHC A:7BU201 2.4 0.0 1.0 C3B A:7BU201 2.8 0.0 1.0 HA A:LEU98 2.8 0.0 1.0 C4B A:7BU201 2.9 0.0 1.0 CG A:TRP68 3.1 0.0 1.0 CD2 A:TRP68 3.2 0.0 1.0 CD1 A:ILE101 3.3 0.0 1.0 HD11 A:ILE101 3.3 0.0 1.0 CD1 A:TRP68 3.4 0.0 1.0 CE2 A:TRP68 3.5 0.0 1.0 HB3 A:TRP68 3.5 0.0 1.0 HB2 A:LEU98 3.6 0.0 1.0 HG A:LEU98 3.6 0.0 1.0 NE1 A:TRP68 3.6 0.0 1.0 HB2 A:TRP68 3.6 0.0 1.0 C1C A:7BU201 3.7 0.0 1.0 HD13 A:LEU98 3.7 0.0 1.0 CB A:TRP68 3.7 0.0 1.0 CE3 A:TRP68 3.8 0.0 1.0 CA A:LEU98 3.8 0.0 1.0 HB A:ILE101 3.8 0.0 1.0 HD13 A:ILE101 3.9 0.0 1.0 HD1 A:TRP68 3.9 0.0 1.0 H2C1 A:7BU201 4.0 0.0 1.0 CB A:LEU98 4.0 0.0 1.0 HE3 A:TRP68 4.1 0.0 1.0 HG22 A:ILE101 4.1 0.0 1.0 C2B A:7BU201 4.1 0.0 1.0 CG A:LEU98 4.2 0.0 1.0 NB2 A:7BU201 4.2 0.0 1.0 C2C A:7BU201 4.2 0.0 1.0 HE1 A:TRP68 4.2 0.0 1.0 CZ2 A:TRP68 4.3 0.0 1.0 HA2 A:GLY65 4.3 0.0 1.0 CG1 A:ILE101 4.4 0.0 1.0 N A:LEU98 4.4 0.0 1.0 CD1 A:LEU98 4.4 0.0 1.0 CZ3 A:TRP68 4.5 0.0 1.0 CB A:ILE101 4.5 0.0 1.0 HD13 A:LEU13 4.5 0.0 1.0 CH2 A:TRP68 4.7 0.0 1.0 HG13 A:ILE101 4.7 0.0 1.0 HD11 A:LEU13 4.7 0.0 1.0 H2B1 A:7BU201 4.8 0.0 1.0 CG2 A:ILE101 4.8 0.0 1.0 C1B A:7BU201 4.8 0.0 1.0 NC3 A:7BU201 4.9 0.0 1.0 O A:ALA97 4.9 0.0 1.0 C A:LEU98 4.9 0.0 1.0 H A:LEU98 4.9 0.0 1.0 C A:ALA97 4.9 0.0 1.0 O A:LEU98 4.9 0.0 1.0 HZ2 A:TRP68 4.9 0.0 1.0 HD11 A:LEU98 5.0 0.0 1.0

Fluorine binding site 4 out of 12 in the uc(Nmr) Structure of Holo-PS1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of uc(Nmr) Structure of Holo-PS1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:0.0 occ:1.00 F21D A:7BU201 0.0 0.0 1.0 C1FD A:7BU201 1.4 0.0 1.0 F22D A:7BU201 2.2 0.0 1.0 F23D A:7BU201 2.2 0.0 1.0 HA A:ARG7 2.3 0.0 1.0 CHD A:7BU201 2.4 0.0 1.0 H3C1 A:7BU201 2.4 0.0 1.0 HA3 A:GLY10 2.4 0.0 1.0 C4C A:7BU201 2.9 0.0 1.0 C3C A:7BU201 2.9 0.0 1.0 O A:LEU6 3.3 0.0 1.0 CA A:ARG7 3.4 0.0 1.0 CA A:GLY10 3.5 0.0 1.0 C1D A:7BU201 3.6 0.0 1.0 HG2 A:ARG7 3.6 0.0 1.0 O A:ARG7 3.6 0.0 1.0 HE1 A:HIS46 3.7 0.0 1.0 H A:ASP11 3.8 0.0 1.0 H A:GLY10 3.8 0.0 1.0 C A:ARG7 4.0 0.0 1.0 C A:LEU6 4.0 0.0 1.0 C A:GLY10 4.0 0.0 1.0 N A:ARG7 4.0 0.0 1.0 H2D1 A:7BU201 4.1 0.0 1.0 N A:GLY10 4.1 0.0 1.0 N A:ASP11 4.1 0.0 1.0 C2C A:7BU201 4.2 0.0 1.0 HA2 A:GLY10 4.2 0.0 1.0 NC3 A:7BU201 4.2 0.0 1.0 HG2 A:ARG102 4.2 0.0 1.0 CB A:ARG7 4.3 0.0 1.0 C2D A:7BU201 4.3 0.0 1.0 HB3 A:ARG7 4.3 0.0 1.0 CG A:ARG7 4.4 0.0 1.0 CE1 A:HIS46 4.5 0.0 1.0 HG3 A:ARG7 4.6 0.0 1.0 HB1 A:ALA105 4.7 0.0 1.0 HB2 A:ALA105 4.7 0.0 1.0 HH12 A:ARG102 4.7 0.0 1.0 HH11 A:ARG102 4.8 0.0 1.0 NH1 A:ARG102 4.8 0.0 1.0 HB3 A:LEU6 4.8 0.0 1.0 ND4 A:7BU201 4.8 0.0 1.0 O A:GLY10 4.8 0.0 1.0 C1C A:7BU201 4.8 0.0 1.0 HA A:ARG102 4.8 0.0 1.0 H2C1 A:7BU201 4.9 0.0 1.0 H A:ARG7 4.9 0.0 1.0

Fluorine binding site 5 out of 12 in the uc(Nmr) Structure of Holo-PS1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of uc(Nmr) Structure of Holo-PS1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:0.0 occ:1.00 F22A A:7BU201 0.0 0.0 1.0 C1FA A:7BU201 1.4 0.0 1.0 F21A A:7BU201 2.1 0.0 1.0 F23A A:7BU201 2.2 0.0 1.0 H2A1 A:7BU201 2.2 0.0 1.0 CHA A:7BU201 2.4 0.0 1.0 HB2 A:ALA56 2.6 0.0 1.0 C2A A:7BU201 2.7 0.0 1.0 C1A A:7BU201 2.8 0.0 1.0 HB2 A:ALA62 2.9 0.0 1.0 HB1 A:ALA56 2.9 0.0 1.0 HA A:ALA62 3.2 0.0 1.0 CB A:ALA56 3.2 0.0 1.0 HA A:ALA56 3.5 0.0 1.0 HB2 A:ALA61 3.5 0.0 1.0 N A:ALA62 3.6 0.0 1.0 H A:ALA57 3.6 0.0 1.0 C4D A:7BU201 3.6 0.0 1.0 H A:ALA62 3.7 0.0 1.0 CA A:ALA62 3.7 0.0 1.0 CB A:ALA62 3.7 0.0 1.0 CA A:ALA56 3.9 0.0 1.0 C3A A:7BU201 4.0 0.0 1.0 HB1 A:ALA61 4.0 0.0 1.0 NA1 A:7BU201 4.1 0.0 1.0 H3D1 A:7BU201 4.1 0.0 1.0 HB3 A:ALA56 4.1 0.0 1.0 C A:ALA61 4.1 0.0 1.0 HB3 A:ALA62 4.2 0.0 1.0 O A:ASP58 4.2 0.0 1.0 CB A:ALA61 4.2 0.0 1.0 CE1 A:PHE50 4.2 0.0 1.0 HE1 A:PHE50 4.2 0.0 1.0 C3D A:7BU201 4.3 0.0 1.0 CD1 A:PHE50 4.4 0.0 1.0 H A:ASP58 4.4 0.0 1.0 HD1 A:PHE50 4.5 0.0 1.0 N A:ALA57 4.5 0.0 1.0 HB1 A:ALA62 4.5 0.0 1.0 O A:ALA61 4.6 0.0 1.0 CZ A:PHE50 4.6 0.0 1.0 HD12 A:LEU6 4.7 0.0 1.0 C4A A:7BU201 4.7 0.0 1.0 H3A1 A:7BU201 4.7 0.0 1.0 ND4 A:7BU201 4.8 0.0 1.0 C A:ALA56 4.8 0.0 1.0 CA A:ALA61 4.8 0.0 1.0 CG A:PHE50 4.9 0.0 1.0 HZ A:PHE50 5.0 0.0 1.0

Fluorine binding site 6 out of 12 in the uc(Nmr) Structure of Holo-PS1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of uc(Nmr) Structure of Holo-PS1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:0.0 occ:1.00 F22B A:7BU201 0.0 0.0 1.0 C1FB A:7BU201 1.4 0.0 1.0 F21B A:7BU201 2.2 0.0 1.0 F23B A:7BU201 2.2 0.0 1.0 CHB A:7BU201 2.4 0.0 1.0 HA A:ASP66 2.8 0.0 1.0 H3A1 A:7BU201 2.9 0.0 1.0 H2B1 A:7BU201 3.0 0.0 1.0 C A:GLY65 3.0 0.0 1.0 HG21 A:VAL69 3.0 0.0 1.0 O A:GLY65 3.1 0.0 1.0 N A:ASP66 3.1 0.0 1.0 HG22 A:VAL69 3.1 0.0 1.0 C4A A:7BU201 3.2 0.0 1.0 HE A:ARG47 3.2 0.0 1.0 C1B A:7BU201 3.2 0.0 1.0 HA3 A:GLY65 3.3 0.0 1.0 C3A A:7BU201 3.3 0.0 1.0 C2B A:7BU201 3.4 0.0 1.0 CA A:ASP66 3.5 0.0 1.0 H A:ASP66 3.5 0.0 1.0 CG2 A:VAL69 3.6 0.0 1.0 OD1 A:ASP66 3.6 0.0 1.0 HG3 A:ARG47 3.7 0.0 1.0 CA A:GLY65 3.7 0.0 1.0 CG A:ASP66 3.9 0.0 1.0 HD2 A:ARG47 4.0 0.0 1.0 NE A:ARG47 4.1 0.0 1.0 HG23 A:VAL69 4.1 0.0 1.0 HA2 A:GLY65 4.2 0.0 1.0 CB A:ASP66 4.2 0.0 1.0 CD A:ARG47 4.4 0.0 1.0 HB2 A:ARG47 4.4 0.0 1.0 CG A:ARG47 4.4 0.0 1.0 OD2 A:ASP66 4.5 0.0 1.0 NA1 A:7BU201 4.5 0.0 1.0 NB2 A:7BU201 4.5 0.0 1.0 C2A A:7BU201 4.7 0.0 1.0 O A:ALA62 4.7 0.0 1.0 C A:ASP66 4.7 0.0 1.0 C3B A:7BU201 4.7 0.0 1.0 HB A:VAL69 4.7 0.0 1.0 HB2 A:ASP66 4.8 0.0 1.0 HA A:ARG47 4.8 0.0 1.0 HH21 A:ARG47 4.8 0.0 1.0 CB A:VAL69 4.8 0.0 1.0 H A:VAL69 4.9 0.0 1.0 CB A:ARG47 4.9 0.0 1.0 N A:GLY65 4.9 0.0 1.0 HD2 A:HIS46 4.9 0.0 1.0

Fluorine binding site 7 out of 12 in the uc(Nmr) Structure of Holo-PS1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of uc(Nmr) Structure of Holo-PS1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:0.0 occ:1.00 F22C A:7BU201 0.0 0.0 1.0 C1FC A:7BU201 1.4 0.0 1.0 F21C A:7BU201 2.1 0.0 1.0 F23C A:7BU201 2.2 0.0 1.0 H2C1 A:7BU201 2.2 0.0 1.0 HA A:LEU98 2.2 0.0 1.0 HG A:LEU98 2.3 0.0 1.0 CHC A:7BU201 2.4 0.0 1.0 HB A:ILE101 2.7 0.0 1.0 C2C A:7BU201 2.7 0.0 1.0 C1C A:7BU201 2.8 0.0 1.0 HD12 A:ILE101 3.0 0.0 1.0 CA A:LEU98 3.1 0.0 1.0 O A:LEU98 3.2 0.0 1.0 CG A:LEU98 3.2 0.0 1.0 HG3 A:ARG102 3.5 0.0 1.0 CB A:LEU98 3.5 0.0 1.0 C A:LEU98 3.6 0.0 1.0 CB A:ILE101 3.6 0.0 1.0 C4B A:7BU201 3.6 0.0 1.0 HG22 A:ILE101 3.7 0.0 1.0 HB2 A:LEU98 3.7 0.0 1.0 HD13 A:LEU98 3.7 0.0 1.0 CD1 A:ILE101 3.8 0.0 1.0 HD11 A:ILE101 3.9 0.0 1.0 H A:ARG102 4.0 0.0 1.0 C3C A:7BU201 4.0 0.0 1.0 CD1 A:LEU98 4.0 0.0 1.0 CG2 A:ILE101 4.0 0.0 1.0 HG23 A:VAL14 4.0 0.0 1.0 HG21 A:ILE101 4.1 0.0 1.0 NC3 A:7BU201 4.1 0.0 1.0 H3B1 A:7BU201 4.2 0.0 1.0 CG1 A:ILE101 4.2 0.0 1.0 HD21 A:LEU98 4.3 0.0 1.0 N A:LEU98 4.3 0.0 1.0 CD2 A:LEU98 4.3 0.0 1.0 HD11 A:LEU98 4.3 0.0 1.0 C3B A:7BU201 4.3 0.0 1.0 CG A:ARG102 4.4 0.0 1.0 HG2 A:ARG102 4.4 0.0 1.0 HG13 A:ILE101 4.5 0.0 1.0 O A:ALA97 4.5 0.0 1.0 HB3 A:LEU98 4.5 0.0 1.0 HD23 A:LEU98 4.6 0.0 1.0 N A:ARG102 4.6 0.0 1.0 H A:ILE101 4.6 0.0 1.0 C4C A:7BU201 4.6 0.0 1.0 H3C1 A:7BU201 4.6 0.0 1.0 HD13 A:LEU13 4.7 0.0 1.0 HD13 A:ILE101 4.7 0.0 1.0 CA A:ILE101 4.8 0.0 1.0 CG2 A:VAL14 4.8 0.0 1.0 HG22 A:VAL14 4.8 0.0 1.0 NB2 A:7BU201 4.8 0.0 1.0 C A:ALA97 4.8 0.0 1.0 HG21 A:VAL14 4.8 0.0 1.0 N A:GLN99 4.9 0.0 1.0 HD12 A:LEU98 4.9 0.0 1.0 H A:LEU98 5.0 0.0 1.0 C A:ILE101 5.0 0.0 1.0

Fluorine binding site 8 out of 12 in the uc(Nmr) Structure of Holo-PS1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of uc(Nmr) Structure of Holo-PS1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:0.0 occ:1.00 F22D A:7BU201 0.0 0.0 1.0 C1FD A:7BU201 1.3 0.0 1.0 H2D1 A:7BU201 2.1 0.0 1.0 F21D A:7BU201 2.2 0.0 1.0 F23D A:7BU201 2.2 0.0 1.0 HA A:ARG7 2.2 0.0 1.0 CHD A:7BU201 2.4 0.0 1.0 HG2 A:ARG7 2.4 0.0 1.0 C2D A:7BU201 2.7 0.0 1.0 C1D A:7BU201 2.8 0.0 1.0 HG3 A:ARG7 2.9 0.0 1.0 CG A:ARG7 3.1 0.0 1.0 CA A:ARG7 3.1 0.0 1.0 N A:ARG7 3.3 0.0 1.0 HB1 A:ALA105 3.3 0.0 1.0 C A:LEU6 3.4 0.0 1.0 O A:LEU6 3.4 0.0 1.0 HB3 A:LEU6 3.6 0.0 1.0 CB A:ARG7 3.6 0.0 1.0 HE1 A:HIS46 3.6 0.0 1.0 C4C A:7BU201 3.7 0.0 1.0 H A:ARG7 3.8 0.0 1.0 HB2 A:LEU6 3.8 0.0 1.0 C3D A:7BU201 4.0 0.0 1.0 HB2 A:ALA105 4.1 0.0 1.0 H3C1 A:7BU201 4.1 0.0 1.0 HB3 A:ARG7 4.1 0.0 1.0 ND4 A:7BU201 4.1 0.0 1.0 CB A:ALA105 4.1 0.0 1.0 CB A:LEU6 4.1 0.0 1.0 HA3 A:GLY10 4.2 0.0 1.0 C3C A:7BU201 4.3 0.0 1.0 HE A:ARG7 4.3 0.0 1.0 C A:ARG7 4.3 0.0 1.0 CD A:ARG7 4.4 0.0 1.0 CA A:LEU6 4.4 0.0 1.0 HB2 A:ARG7 4.5 0.0 1.0 HB3 A:ALA105 4.5 0.0 1.0 O A:PHE3 4.5 0.0 1.0 O A:ARG7 4.6 0.0 1.0 H3D1 A:7BU201 4.6 0.0 1.0 CE1 A:HIS46 4.7 0.0 1.0 C4D A:7BU201 4.7 0.0 1.0 NE A:ARG7 4.7 0.0 1.0 NC3 A:7BU201 4.8 0.0 1.0 HD3 A:ARG7 4.9 0.0 1.0 H A:GLY10 4.9 0.0 1.0

Fluorine binding site 9 out of 12 in the uc(Nmr) Structure of Holo-PS1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of uc(Nmr) Structure of Holo-PS1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:0.0 occ:1.00 F23A A:7BU201 0.0 0.0 1.0 C1FA A:7BU201 1.4 0.0 1.0 F21A A:7BU201 2.2 0.0 1.0 F22A A:7BU201 2.2 0.0 1.0 H A:ALA57 2.2 0.0 1.0 H3D1 A:7BU201 2.2 0.0 1.0 CHA A:7BU201 2.4 0.0 1.0 HA A:ALA56 2.7 0.0 1.0 C3D A:7BU201 2.8 0.0 1.0 C4D A:7BU201 2.9 0.0 1.0 HB2 A:ALA56 2.9 0.0 1.0 N A:ALA57 3.2 0.0 1.0 CA A:ALA56 3.4 0.0 1.0 CB A:ALA56 3.5 0.0 1.0 HB2 A:ALA61 3.6 0.0 1.0 HB3 A:ALA57 3.7 0.0 1.0 C1A A:7BU201 3.7 0.0 1.0 HD12 A:LEU6 3.7 0.0 1.0 HB1 A:ALA56 3.7 0.0 1.0 C A:ALA56 3.8 0.0 1.0 H A:ASP58 3.9 0.0 1.0 HB1 A:ALA61 4.0 0.0 1.0 H2A1 A:7BU201 4.0 0.0 1.0 HB1 A:ALA57 4.0 0.0 1.0 C2D A:7BU201 4.1 0.0 1.0 CB A:ALA57 4.2 0.0 1.0 ND4 A:7BU201 4.2 0.0 1.0 CA A:ALA57 4.2 0.0 1.0 C2A A:7BU201 4.3 0.0 1.0 CB A:ALA61 4.3 0.0 1.0 HB3 A:ALA56 4.5 0.0 1.0 CD1 A:LEU6 4.5 0.0 1.0 HE2 A:PHE3 4.6 0.0 1.0 HD13 A:LEU6 4.6 0.0 1.0 HD2 A:PHE3 4.6 0.0 1.0 N A:ASP58 4.7 0.0 1.0 HD11 A:LEU6 4.7 0.0 1.0 N A:ALA56 4.7 0.0 1.0 O A:ASP58 4.7 0.0 1.0 H2D1 A:7BU201 4.7 0.0 1.0 C1D A:7BU201 4.8 0.0 1.0 HB2 A:ALA62 4.8 0.0 1.0 HB3 A:ALA61 4.9 0.0 1.0 NA1 A:7BU201 4.9 0.0 1.0 H A:ALA56 4.9 0.0 1.0 HA A:ALA105 5.0 0.0 1.0 C A:ALA57 5.0 0.0 1.0 O A:ALA56 5.0 0.0 1.0

Fluorine binding site 10 out of 12 in the uc(Nmr) Structure of Holo-PS1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of uc(Nmr) Structure of Holo-PS1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:0.0 occ:1.00 F23B A:7BU201 0.0 0.0 1.0 C1FB A:7BU201 1.3 0.0 1.0 F22B A:7BU201 2.2 0.0 1.0 F21B A:7BU201 2.2 0.0 1.0 HG3 A:ARG47 2.2 0.0 1.0 H3A1 A:7BU201 2.3 0.0 1.0 CHB A:7BU201 2.4 0.0 1.0 HA A:ARG47 2.7 0.0 1.0 C3A A:7BU201 2.7 0.0 1.0 C4A A:7BU201 2.7 0.0 1.0 CG A:ARG47 3.1 0.0 1.0 HB2 A:ARG47 3.1 0.0 1.0 CB A:ARG47 3.3 0.0 1.0 HE A:ARG47 3.4 0.0 1.0 CA A:ARG47 3.5 0.0 1.0 HD2 A:ARG47 3.6 0.0 1.0 C1B A:7BU201 3.6 0.0 1.0 CD A:ARG47 3.7 0.0 1.0 HD2 A:PHE50 3.8 0.0 1.0 HB3 A:PHE50 3.8 0.0 1.0 HG2 A:ARG47 3.9 0.0 1.0 NE A:ARG47 4.0 0.0 1.0 C2A A:7BU201 4.0 0.0 1.0 HD2 A:HIS46 4.0 0.0 1.0 NA1 A:7BU201 4.0 0.0 1.0 H2B1 A:7BU201 4.2 0.0 1.0 HG21 A:VAL69 4.2 0.0 1.0 N A:ARG47 4.3 0.0 1.0 C2B A:7BU201 4.3 0.0 1.0 HB3 A:ARG47 4.4 0.0 1.0 CD2 A:PHE50 4.5 0.0 1.0 C A:ARG47 4.5 0.0 1.0 HB2 A:PHE50 4.6 0.0 1.0 O A:ARG47 4.6 0.0 1.0 CB A:PHE50 4.6 0.0 1.0 C1A A:7BU201 4.6 0.0 1.0 H2A1 A:7BU201 4.7 0.0 1.0 OD1 A:ASP66 4.7 0.0 1.0 H A:ARG47 4.7 0.0 1.0 HA3 A:GLY65 4.7 0.0 1.0 CD2 A:HIS46 4.7 0.0 1.0 HD3 A:ARG47 4.8 0.0 1.0 NB2 A:7BU201 4.8 0.0 1.0 HA A:ASP66 4.8 0.0 1.0 HG22 A:VAL69 4.9 0.0 1.0 CG A:PHE50 4.9 0.0 1.0 CG2 A:VAL69 5.0 0.0 1.0

N.F.Polizzi, Y.Wu, T.Lemmin, A.M.Maxwell, S.Q.Zhang, J.Rawson, D.N.Beratan, M.J.Therien, W.F.Degrado. De Novo Design of A Hyperstable Non-Natural Protein-Ligand Complex with Sub- Angstrom Accuracy. Nat Chem V. 9 1157 2017.
ISSN: ESSN 1755-4349
PubMed: 29168496
DOI: 10.1038/NCHEM.2846