Fluorine in PDB 7sfq: Emre S64V Mutant Bound to Tetra(4-Fluorophenyl)Phosphonium at pH 8.0

The binding sites of Fluorine atom in the Emre S64V Mutant Bound to Tetra(4-Fluorophenyl)Phosphonium at pH 8.0 (pdb code 7sfq). 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 8.0, PDB code: 7sfq:
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 8.0


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 8.0 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 HB3 B:SER43 2.5 0.0 1.0 H7 A:VCJ201 2.6 0.0 1.0 H6 A:VCJ201 2.6 0.0 1.0 HB3 B:ALA13 2.8 0.0 1.0 O B:ALA10 3.1 0.0 1.0 HE1 B:TRP63 3.2 0.0 1.0 HB2 B:GLU14 3.3 0.0 1.0 H B:GLU14 3.3 0.0 1.0 HZ2 B:TRP63 3.4 0.0 1.0 CB B:SER43 3.5 0.0 1.0 C14 A:VCJ201 3.6 0.0 1.0 C18 A:VCJ201 3.6 0.0 1.0 HA B:ALA10 3.7 0.0 1.0 HA B:SER43 3.8 0.0 1.0 OG B:SER43 3.8 0.0 1.0 N B:GLU14 3.8 0.0 1.0 CB B:ALA13 3.8 0.0 1.0 HB2 B:ALA10 3.9 0.0 1.0 HB2 B:ALA13 4.0 0.0 1.0 NE1 B:TRP63 4.0 0.0 1.0 C B:ALA10 4.0 0.0 1.0 HB3 B:GLU14 4.0 0.0 1.0 CB B:GLU14 4.1 0.0 1.0 CA B:SER43 4.1 0.0 1.0 C13 A:VCJ201 4.2 0.0 1.0 O B:SER43 4.2 0.0 1.0 CZ2 B:TRP63 4.2 0.0 1.0 CA B:ALA10 4.3 0.0 1.0 HB2 B:SER43 4.3 0.0 1.0 C B:SER43 4.4 0.0 1.0 C B:ALA13 4.4 0.0 1.0 CA B:GLU14 4.4 0.0 1.0 CE2 B:TRP63 4.4 0.0 1.0 H8 A:VCJ201 4.5 0.0 1.0 H5 A:VCJ201 4.5 0.0 1.0 HB2 B:LEU47 4.5 0.0 1.0 HA B:GLU14 4.5 0.0 1.0 HB1 B:ALA13 4.5 0.0 1.0 CB B:ALA10 4.6 0.0 1.0 CA B:ALA13 4.7 0.0 1.0 HG B:SER43 4.7 0.0 1.0 H B:ALA13 4.9 0.0 1.0

Fluorine binding site 2 out of 4 in the Emre S64V Mutant Bound to Tetra(4-Fluorophenyl)Phosphonium at pH 8.0


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 8.0 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 C21 A:VCJ201 2.4 0.0 1.0 C23 A:VCJ201 2.4 0.0 1.0 H10 A:VCJ201 2.6 0.0 1.0 H11 A:VCJ201 2.6 0.0 1.0 HD12 B:LEU51 3.0 0.0 1.0 HD13 B:LEU47 3.5 0.0 1.0 HD1 B:TYR60 3.6 0.0 1.0 CD1 B:TYR60 3.6 0.0 1.0 C20 A:VCJ201 3.6 0.0 1.0 C24 A:VCJ201 3.6 0.0 1.0 CE1 B:TYR60 3.7 0.0 1.0 HD22 B:LEU51 3.7 0.0 1.0 HE1 B:TYR60 3.8 0.0 1.0 HD22 B:LEU47 3.9 0.0 1.0 HD13 B:LEU51 4.0 0.0 1.0 CD1 B:LEU51 4.0 0.0 1.0 C19 A:VCJ201 4.2 0.0 1.0 HB2 B:TYR60 4.2 0.0 1.0 CG B:TYR60 4.3 0.0 1.0 CZ B:TYR60 4.4 0.0 1.0 H12 A:VCJ201 4.5 0.0 1.0 H9 A:VCJ201 4.5 0.0 1.0 HD21 B:LEU51 4.5 0.0 1.0 CD2 B:LEU51 4.5 0.0 1.0 HD21 A:LEU74 4.6 0.0 1.0 CD1 B:LEU47 4.6 0.0 1.0 HH B:TYR60 4.7 0.0 1.0 HD11 B:LEU51 4.7 0.0 1.0 CD2 B:TYR60 4.8 0.0 1.0 CB B:TYR60 4.9 0.0 1.0 CG B:LEU51 4.9 0.0 1.0 CE2 B:TYR60 4.9 0.0 1.0 CD2 B:LEU47 4.9 0.0 1.0 OE2 A:GLU14 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 8.0


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 8.0 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 HB3 A:TRP63 2.8 0.0 1.0 HG22 A:VAL64 2.9 0.0 1.0 HD2 A:TYR60 2.9 0.0 1.0 HE2 A:TYR60 3.2 0.0 1.0 HD1 A:TRP63 3.3 0.0 1.0 CD1 A:TRP63 3.4 0.0 1.0 CG A:TRP63 3.5 0.0 1.0 HG23 A:VAL64 3.6 0.0 1.0 CB A:TRP63 3.6 0.0 1.0 CD2 A: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 HZ3 B:TRP63 3.7 0.0 1.0 CG2 A:VAL64 3.7 0.0 1.0 CE2 A:TYR60 3.8 0.0 1.0 HH2 B:TRP63 3.9 0.0 1.0 H A:VAL64 4.0 0.0 1.0 N A:VAL64 4.0 0.0 1.0 HA A:VAL64 4.1 0.0 1.0 C A:TRP63 4.1 0.0 1.0 HA A:TYR60 4.2 0.0 1.0 C1 A:VCJ201 4.2 0.0 1.0 NE1 A:TRP63 4.2 0.0 1.0 CD2 A:TRP63 4.3 0.0 1.0 O A:TYR60 4.3 0.0 1.0 HG21 A:VAL64 4.4 0.0 1.0 HB2 A:TRP63 4.4 0.0 1.0 H1 A:VCJ201 4.5 0.0 1.0 H4 A:VCJ201 4.5 0.0 1.0 CA A:TRP63 4.5 0.0 1.0 CA A:VAL64 4.5 0.0 1.0 O A:TRP63 4.5 0.0 1.0 CZ3 B:TRP63 4.6 0.0 1.0 CH2 B:TRP63 4.7 0.0 1.0 CE2 A:TRP63 4.7 0.0 1.0 CB A:VAL64 4.8 0.0 1.0 CG A:TYR60 4.9 0.0 1.0 HE1 A:TRP63 4.9 0.0 1.0

Fluorine binding site 4 out of 4 in the Emre S64V Mutant Bound to Tetra(4-Fluorophenyl)Phosphonium at pH 8.0


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 8.0 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 HD1 A:TYR40 2.6 0.0 1.0 H15 A:VCJ201 2.6 0.0 1.0 H14 A:VCJ201 2.6 0.0 1.0 HB3 A:SER43 2.7 0.0 1.0 OG A:SER43 3.4 0.0 1.0 CB A:SER43 3.4 0.0 1.0 HG2 A:GLU14 3.5 0.0 1.0 CD1 A:TYR40 3.5 0.0 1.0 HA A:TYR40 3.6 0.0 1.0 HB2 A:GLU14 3.6 0.0 1.0 CZ A:PHE44 3.6 0.0 1.0 C12 A:VCJ201 3.6 0.0 1.0 C8 A:VCJ201 3.6 0.0 1.0 HZ A:PHE44 3.7 0.0 1.0 HB2 A:SER43 3.7 0.0 1.0 CE2 A:PHE44 3.8 0.0 1.0 HA A:GLU14 3.8 0.0 1.0 HB3 A:TYR40 3.9 0.0 1.0 O A:TYR40 3.9 0.0 1.0 HE2 A:PHE44 3.9 0.0 1.0 HE1 A:TYR40 4.0 0.0 1.0 CE1 A:PHE44 4.1 0.0 1.0 C7 A:VCJ201 4.2 0.0 1.0 CG A:GLU14 4.2 0.0 1.0 HG A:SER43 4.2 0.0 1.0 HG3 A:GLU14 4.2 0.0 1.0 CE1 A:TYR40 4.2 0.0 1.0 CB A:GLU14 4.3 0.0 1.0 CD2 A:PHE44 4.3 0.0 1.0 CA A:TYR40 4.4 0.0 1.0 CG A:TYR40 4.4 0.0 1.0 CB A:TYR40 4.5 0.0 1.0 H16 A:VCJ201 4.5 0.0 1.0 HE1 A:PHE44 4.5 0.0 1.0 H13 A:VCJ201 4.5 0.0 1.0 H A:PHE44 4.5 0.0 1.0 CA A:GLU14 4.5 0.0 1.0 C A:TYR40 4.6 0.0 1.0 CD1 A:PHE44 4.6 0.0 1.0 CG A:PHE44 4.7 0.0 1.0 CA A:SER43 4.8 0.0 1.0 HD2 A:PHE44 4.9 0.0 1.0 N A:PHE44 4.9 0.0 1.0 HZ2 A:TRP63 5.0 0.0 1.0

A.A.Shcherbakov, P.J.Spreacker, A.J.Dregni, K.A.Henzler-Wildman, M.Hong. High-pH Structure of Emre Reveals the Mechanism of Proton-Coupled Substrate Transport. Nat Commun V. 13 991 2022.
ISSN: ESSN 2041-1723
PubMed: 35181664
DOI: 10.1038/S41467-022-28556-6