Fluorine in PDB 7jk8: Emre S64V Mutant Bound to Tetra(4-Fluorophenyl)Phosphonium at pH 5.8

The binding sites of Fluorine atom in the Emre S64V Mutant Bound to Tetra(4-Fluorophenyl)Phosphonium at pH 5.8 (pdb code 7jk8). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Emre S64V Mutant Bound to Tetra(4-Fluorophenyl)Phosphonium at pH 5.8, PDB code: 7jk8:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Emre S64V Mutant Bound to Tetra(4-Fluorophenyl)Phosphonium at pH 5.8


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Emre S64V Mutant Bound to Tetra(4-Fluorophenyl)Phosphonium at pH 5.8 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:0.0 occ:1.00 F13 A:VCJ201 0.0 0.0 1.0 C16 A:VCJ201 1.4 0.0 1.0 C17 A:VCJ201 2.4 0.0 1.0 C15 A:VCJ201 2.4 0.0 1.0 H7 A:VCJ201 2.6 0.0 1.0 HG22 A:VAL64 2.6 0.0 1.0 H6 A:VCJ201 2.6 0.0 1.0 HG22 B:VAL64 3.1 0.0 1.0 HG23 A:VAL64 3.1 0.0 1.0 CG2 A:VAL64 3.2 0.0 1.0 HG21 A:VAL64 3.3 0.0 1.0 C18 A:VCJ201 3.6 0.0 1.0 C14 A:VCJ201 3.6 0.0 1.0 HA A:TYR60 3.7 0.0 1.0 O A:TYR60 3.8 0.0 1.0 HB3 A:TYR60 3.8 0.0 1.0 HE1 B:TYR60 3.8 0.0 1.0 HB3 A:TRP63 3.9 0.0 1.0 HE3 A:TRP63 3.9 0.0 1.0 CE3 A:TRP63 4.1 0.0 1.0 CG2 B:VAL64 4.1 0.0 1.0 C13 A:VCJ201 4.2 0.0 1.0 H A:VAL64 4.4 0.0 1.0 CA A:TYR60 4.4 0.0 1.0 HG23 B:VAL64 4.4 0.0 1.0 HG12 B:VAL64 4.4 0.0 1.0 CD2 A:TRP63 4.5 0.0 1.0 H8 A:VCJ201 4.5 0.0 1.0 C A:TYR60 4.5 0.0 1.0 CB A:TYR60 4.5 0.0 1.0 H5 A:VCJ201 4.5 0.0 1.0 HA B:VAL64 4.5 0.0 1.0 HG21 B:VAL64 4.6 0.0 1.0 CB A:VAL64 4.7 0.0 1.0 HD1 B:TRP63 4.7 0.0 1.0 CZ3 A:TRP63 4.7 0.0 1.0 HD2 A:TYR60 4.7 0.0 1.0 CG A:TRP63 4.7 0.0 1.0 CG A:TYR60 4.8 0.0 1.0 N A:VAL64 4.8 0.0 1.0 CB A:TRP63 4.8 0.0 1.0 HE2 B:GLU14 4.8 0.0 1.0 CD2 A:TYR60 4.9 0.0 1.0 HZ3 A:TRP63 4.9 0.0 1.0 CE1 B:TYR60 4.9 0.0 1.0 HA A:VAL64 5.0 0.0 1.0

Fluorine binding site 2 out of 4 in the Emre S64V Mutant Bound to Tetra(4-Fluorophenyl)Phosphonium at pH 5.8


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Emre S64V Mutant Bound to Tetra(4-Fluorophenyl)Phosphonium at pH 5.8 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:0.0 occ:1.00 F18 A:VCJ201 0.0 0.0 1.0 C22 A:VCJ201 1.4 0.0 1.0 HB3 A:TYR40 2.4 0.0 1.0 C23 A:VCJ201 2.4 0.0 1.0 C21 A:VCJ201 2.4 0.0 1.0 HE2 A:PHE44 2.4 0.0 1.0 H11 A:VCJ201 2.6 0.0 1.0 H10 A:VCJ201 2.6 0.0 1.0 HE1 B:PHE44 2.8 0.0 1.0 HZ B:PHE44 3.3 0.0 1.0 CE2 A:PHE44 3.3 0.0 1.0 HD1 A:TYR40 3.4 0.0 1.0 CB A:TYR40 3.4 0.0 1.0 CE1 B:PHE44 3.5 0.0 1.0 HD2 A:PHE44 3.6 0.0 1.0 CD1 A:TYR40 3.6 0.0 1.0 CG A:TYR40 3.6 0.0 1.0 C24 A:VCJ201 3.6 0.0 1.0 C20 A:VCJ201 3.6 0.0 1.0 CZ B:PHE44 3.8 0.0 1.0 CD2 A:PHE44 3.9 0.0 1.0 HB2 A:TYR40 3.9 0.0 1.0 C19 A:VCJ201 4.2 0.0 1.0 CZ A:PHE44 4.4 0.0 1.0 HD22 B:LEU47 4.4 0.0 1.0 CA A:TYR40 4.4 0.0 1.0 H12 A:VCJ201 4.5 0.0 1.0 H9 A:VCJ201 4.5 0.0 1.0 CE1 A:TYR40 4.5 0.0 1.0 CD2 A:TYR40 4.5 0.0 1.0 O A:TYR40 4.5 0.0 1.0 HZ A:PHE44 4.5 0.0 1.0 C A:TYR40 4.6 0.0 1.0 HA A:TYR40 4.6 0.0 1.0 HD23 B:LEU47 4.6 0.0 1.0 CD1 B:PHE44 4.7 0.0 1.0 HD21 B:LEU47 4.8 0.0 1.0 CD2 B:LEU47 4.9 0.0 1.0 HE1 A:TYR40 4.9 0.0 1.0 HD2 A:TYR40 4.9 0.0 1.0 HD1 B:PHE44 5.0 0.0 1.0

Fluorine binding site 3 out of 4 in the Emre S64V Mutant Bound to Tetra(4-Fluorophenyl)Phosphonium at pH 5.8


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Emre S64V Mutant Bound to Tetra(4-Fluorophenyl)Phosphonium at pH 5.8 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:0.0 occ:1.00 F3 A:VCJ201 0.0 0.0 1.0 C4 A:VCJ201 1.4 0.0 1.0 C3 A:VCJ201 2.4 0.0 1.0 C5 A:VCJ201 2.4 0.0 1.0 H2 A:VCJ201 2.6 0.0 1.0 H3 A:VCJ201 2.6 0.0 1.0 HD22 B:LEU51 2.6 0.0 1.0 HB1 B:ALA59 2.9 0.0 1.0 HE3 B:TRP63 3.1 0.0 1.0 HB2 B:ALA59 3.2 0.0 1.0 CE3 B:TRP63 3.4 0.0 1.0 HD13 B:LEU51 3.4 0.0 1.0 HB2 B:TRP63 3.5 0.0 1.0 CB B:ALA59 3.5 0.0 1.0 HA B:TYR60 3.6 0.0 1.0 C2 A:VCJ201 3.6 0.0 1.0 C6 A:VCJ201 3.6 0.0 1.0 CD2 B:LEU51 3.7 0.0 1.0 CD2 B:TRP63 3.8 0.0 1.0 C B:ALA59 3.9 0.0 1.0 CZ3 B:TRP63 4.0 0.0 1.0 N B:TYR60 4.0 0.0 1.0 HB3 B:TRP63 4.0 0.0 1.0 CB B:TRP63 4.1 0.0 1.0 CG B:TRP63 4.1 0.0 1.0 HD23 B:LEU51 4.2 0.0 1.0 C1 A:VCJ201 4.2 0.0 1.0 HZ3 B:TRP63 4.2 0.0 1.0 HD12 B:LEU47 4.2 0.0 1.0 O B:ALA59 4.2 0.0 1.0 H B:TYR60 4.2 0.0 1.0 HD21 B:LEU51 4.3 0.0 1.0 CD1 B:LEU51 4.3 0.0 1.0 CA B:TYR60 4.3 0.0 1.0 HG B:LEU51 4.3 0.0 1.0 HD11 B:LEU47 4.3 0.0 1.0 HB3 B:ALA59 4.4 0.0 1.0 HB2 B:TYR60 4.4 0.0 1.0 CA B:ALA59 4.4 0.0 1.0 CG B:LEU51 4.4 0.0 1.0 HG22 B:THR50 4.5 0.0 1.0 H1 A:VCJ201 4.5 0.0 1.0 H4 A:VCJ201 4.5 0.0 1.0 HG23 B:THR50 4.6 0.0 1.0 O B:THR56 4.6 0.0 1.0 HA B:THR56 4.6 0.0 1.0 CD1 B:LEU47 4.6 0.0 1.0 HD13 B:LEU47 4.7 0.0 1.0 CE2 B:TRP63 4.7 0.0 1.0 HD11 B:LEU51 4.8 0.0 1.0 CH2 B:TRP63 4.8 0.0 1.0 HD1 B:TYR60 4.9 0.0 1.0 CB B:TYR60 5.0 0.0 1.0 HD12 B:LEU7 5.0 0.0 1.0 HA B:ALA59 5.0 0.0 1.0 H8 A:VCJ201 5.0 0.0 1.0

Fluorine binding site 4 out of 4 in the Emre S64V Mutant Bound to Tetra(4-Fluorophenyl)Phosphonium at pH 5.8


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Emre S64V Mutant Bound to Tetra(4-Fluorophenyl)Phosphonium at pH 5.8 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:0.0 occ:1.00 F8 A:VCJ201 0.0 0.0 1.0 C10 A:VCJ201 1.4 0.0 1.0 C11 A:VCJ201 2.4 0.0 1.0 C9 A:VCJ201 2.4 0.0 1.0 H15 A:VCJ201 2.6 0.0 1.0 HG22 A:THR18 2.6 0.0 1.0 H14 A:VCJ201 2.6 0.0 1.0 CG2 A:THR18 3.6 0.0 1.0 C12 A:VCJ201 3.6 0.0 1.0 C8 A:VCJ201 3.6 0.0 1.0 OG1 A:THR18 3.7 0.0 1.0 HG23 A:THR18 3.9 0.0 1.0 HG13 A:ILE71 4.1 0.0 1.0 C7 A:VCJ201 4.2 0.0 1.0 CB A:THR18 4.2 0.0 1.0 HG2 A:GLU14 4.2 0.0 1.0 HG1 A:THR18 4.3 0.0 1.0 HG3 A:GLU14 4.4 0.0 1.0 HB A:THR18 4.4 0.0 1.0 HG21 A:THR18 4.4 0.0 1.0 OE2 A:GLU14 4.4 0.0 1.0 H16 A:VCJ201 4.5 0.0 1.0 HD11 A:ILE71 4.5 0.0 1.0 H13 A:VCJ201 4.5 0.0 1.0 HD13 A:ILE71 4.5 0.0 1.0 HH A:TYR40 4.6 0.0 1.0 HG21 A:ILE71 4.7 0.0 1.0 CG A:GLU14 4.7 0.0 1.0 CD A:GLU14 4.7 0.0 1.0 HE2 A:GLU14 4.8 0.0 1.0 CD1 A:ILE71 4.9 0.0 1.0

A.A.Shcherbakov, G.Hisao, V.S.Mandala, N.E.Thomas, M.Soltani, E.A.Salter, J.H.Davis Jr., K.A.Henzler-Wildman, M.Hong. Structure and Dynamics of the Drug-Bound Bacterial Transporter Emre in Lipid Bilayers To Be Published.