Fluorine in PDB 7fd7: The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid

The structure of The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid, PDB code: 7fd7 was solved by S.Sugiyama, K.Kakinouchi, T.Hara, R.Nakano, S.Matsuoka, H.Tsuchikawa, M.Sonoyama, Y.Inoue, F.Hayashi, M.Murata, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.84 / 1.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.829, 69.493, 33.881, 90, 90, 90
R / Rfree (%)	12.2 / 14.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 26;

Binding sites:

The binding sites of Fluorine atom in the The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid (pdb code 7fd7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 26 binding sites of Fluorine where determined in the The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid, PDB code: 7fd7:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 26 in the The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F200 b:28.7 occ:0.83 F73 A:4EI200 0.0 28.7 0.8 C7 A:4EI200 1.3 19.7 0.8 F72 A:4EI200 2.0 23.7 0.8 F71 A:4EI200 2.2 24.8 0.8 C6 A:4EI200 2.3 18.9 0.8 F21 A:4EI201 2.5 56.9 0.7 F31 A:4EI201 2.6 64.4 0.7 F61 A:4EI200 2.8 21.8 0.8 F52 A:4EI200 2.8 18.0 0.8 C5 A:4EI200 2.9 16.4 0.8 F42 A:4EI200 3.1 16.7 0.8 F62 A:4EI200 3.4 27.2 0.8 C2 A:4EI201 3.4 40.0 0.7 C3 A:4EI201 3.6 124.3 0.7 C4 A:4EI200 3.6 14.2 0.8 F52 A:4EI201 3.8 34.7 0.7 F42 A:4EI201 3.8 68.2 0.7 OD1 A:ASP76 3.9 10.9 1.0 C1 A:4EI201 4.0 34.1 0.7 CB A:ALA75 4.1 12.2 1.0 O1 A:4EI201 4.1 24.9 0.7 CB A:ASP76 4.1 12.0 1.0 CG A:ASP76 4.1 10.9 1.0 F41 A:4EI200 4.1 15.7 0.8 F51 A:4EI200 4.1 19.3 0.8 N A:ASP76 4.2 11.0 1.0 C4 A:4EI201 4.3 83.3 0.7 F22 A:4EI201 4.4 45.6 0.7 C5 A:4EI201 4.6 45.2 0.7 CA A:ASP76 4.7 12.0 1.0 C A:ALA75 4.8 11.7 1.0 CA A:ALA75 4.9 11.0 1.0 OD2 A:ASP76 4.9 12.1 1.0 F32 A:4EI201 4.9 72.9 0.7 O2 A:4EI201 5.0 22.8 0.7 CG2 A:VAL25 5.0 12.7 1.0

Fluorine binding site 2 out of 26 in the The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F200 b:24.8 occ:0.83 F71 A:4EI200 0.0 24.8 0.8 C7 A:4EI200 1.3 19.7 0.8 F72 A:4EI200 2.1 23.7 0.8 F73 A:4EI200 2.2 28.7 0.8 C6 A:4EI200 2.3 18.9 0.8 F62 A:4EI200 2.6 27.2 0.8 F42 A:4EI200 2.7 16.7 0.8 F41 A:4EI200 2.8 15.7 0.8 C5 A:4EI200 3.0 16.4 0.8 C4 A:4EI200 3.1 14.2 0.8 F61 A:4EI200 3.4 21.8 0.8 F21 A:4EI201 3.6 56.9 0.7 F52 A:4EI200 3.7 18.0 0.8 CE2 A:TYR19 3.9 10.1 1.0 CE1 A:PHE16 3.9 12.8 1.0 CG A:MET20 4.0 10.2 1.0 CZ A:PHE16 4.1 12.9 1.0 CD2 A:TYR19 4.1 10.0 1.0 F51 A:4EI200 4.2 19.3 0.8 CD1 A:LEU23 4.3 12.7 1.0 F42 A:4EI201 4.3 68.2 0.7 F31 A:4EI201 4.4 64.4 0.7 C3 A:4EI200 4.6 12.4 0.8 C2 A:4EI201 4.8 40.0 0.7 F52 A:4EI201 4.8 34.7 0.7 SD A:MET20 4.9 10.7 1.0 CA A:MET20 5.0 9.7 1.0 CB A:MET20 5.0 10.2 1.0 CD1 A:PHE16 5.0 10.8 1.0

Fluorine binding site 3 out of 26 in the The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F200 b:23.7 occ:0.83 F72 A:4EI200 0.0 23.7 0.8 C7 A:4EI200 1.3 19.7 0.8 F73 A:4EI200 2.0 28.7 0.8 F71 A:4EI200 2.1 24.8 0.8 C6 A:4EI200 2.4 18.9 0.8 F61 A:4EI200 2.8 21.8 0.8 F62 A:4EI200 2.8 27.2 0.8 OD1 A:ASP76 3.1 10.9 1.0 CG A:ASP76 3.1 10.9 1.0 OD2 A:ASP76 3.4 12.1 1.0 CD1 A:LEU23 3.5 12.7 1.0 F21 A:4EI201 3.6 56.9 0.7 CB A:ASP76 3.6 12.0 1.0 C5 A:4EI200 3.8 16.4 0.8 NH2 A:ARG78 4.0 10.5 1.0 CG2 A:VAL25 4.0 12.7 1.0 F52 A:4EI200 4.2 18.0 0.8 F42 A:4EI200 4.4 16.7 0.8 F41 A:4EI200 4.5 15.7 0.8 F31 A:4EI201 4.5 64.4 0.7 C4 A:4EI200 4.6 14.2 0.8 N A:ASP76 4.6 11.0 1.0 O1 A:4EI201 4.7 24.9 0.7 CA A:ASP76 4.8 12.0 1.0 CB A:LEU23 4.8 11.1 1.0 C2 A:4EI201 4.8 40.0 0.7 F51 A:4EI200 4.8 19.3 0.8 CG A:LEU23 4.8 11.7 1.0 CE2 A:TYR19 4.8 10.1 1.0 CZ A:ARG78 4.9 9.9 1.0 NE A:ARG78 4.9 10.2 1.0 O A:HOH381 4.9 11.6 1.0 CG A:MET20 5.0 10.2 1.0

Fluorine binding site 4 out of 26 in the The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F200 b:21.8 occ:0.83 F61 A:4EI200 0.0 21.8 0.8 C6 A:4EI200 1.3 18.9 0.8 F62 A:4EI200 2.1 27.2 0.8 C5 A:4EI200 2.3 16.4 0.8 C7 A:4EI200 2.3 19.7 0.8 F52 A:4EI200 2.6 18.0 0.8 F51 A:4EI200 2.6 19.3 0.8 F73 A:4EI200 2.8 28.7 0.8 F72 A:4EI200 2.8 23.7 0.8 OD1 A:ASP76 3.0 10.9 1.0 O A:HOH429 3.1 12.7 0.7 NH2 A:ARG78 3.2 10.5 1.0 F71 A:4EI200 3.4 24.8 0.8 O A:HOH381 3.5 11.6 1.0 O A:HOH412 3.6 10.2 1.0 C4 A:4EI200 3.7 14.2 0.8 CB A:THR74 3.9 9.1 1.0 CG A:ASP76 4.0 10.9 1.0 N A:ALA75 4.1 10.0 1.0 F41 A:4EI200 4.1 15.7 0.8 F42 A:4EI200 4.2 16.7 0.8 CB A:ALA75 4.3 12.2 1.0 N A:ASP76 4.3 11.0 1.0 OG1 A:THR74 4.3 9.8 1.0 O A:HOH429 4.4 10.8 0.3 CZ A:ARG78 4.5 9.9 1.0 F31 A:4EI201 4.6 64.4 0.7 CG2 A:THR74 4.7 10.1 1.0 OD2 A:ASP76 4.7 12.1 1.0 CA A:ALA75 4.7 11.0 1.0 CB A:ASP76 4.7 12.0 1.0 C A:THR74 4.9 10.0 1.0 CA A:THR74 4.9 9.3 1.0 C3 A:4EI200 4.9 12.4 0.8 F31 A:4EI200 4.9 13.8 0.8 CD1 A:LEU23 4.9 12.7 1.0

Fluorine binding site 5 out of 26 in the The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F200 b:27.2 occ:0.83 F62 A:4EI200 0.0 27.2 0.8 C6 A:4EI200 1.3 18.9 0.8 F61 A:4EI200 2.1 21.8 0.8 C7 A:4EI200 2.2 19.7 0.8 C5 A:4EI200 2.4 16.4 0.8 F71 A:4EI200 2.6 24.8 0.8 O A:HOH381 2.7 11.6 1.0 F41 A:4EI200 2.8 15.7 0.8 F51 A:4EI200 2.8 19.3 0.8 F72 A:4EI200 2.8 23.7 0.8 C4 A:4EI200 3.1 14.2 0.8 F73 A:4EI200 3.4 28.7 0.8 F52 A:4EI200 3.4 18.0 0.8 CE2 A:TYR19 3.4 10.1 1.0 NH2 A:ARG78 3.5 10.5 1.0 OH A:TYR19 3.8 10.0 1.0 F42 A:4EI200 3.8 16.7 0.8 CD1 A:LEU23 3.8 12.7 1.0 O A:HOH429 3.9 12.7 0.7 CZ A:TYR19 4.1 9.3 1.0 C3 A:4EI200 4.4 12.4 0.8 OD1 A:ASP76 4.4 10.9 1.0 CD2 A:TYR19 4.5 10.0 1.0 F32 A:4EI200 4.5 15.5 0.8 CZ A:ARG78 4.8 9.9 1.0 CD2 A:LEU104 5.0 13.9 1.0

Fluorine binding site 6 out of 26 in the The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F200 b:19.3 occ:0.83 F51 A:4EI200 0.0 19.3 0.8 C5 A:4EI200 1.4 16.4 0.8 F52 A:4EI200 2.0 18.0 0.8 C4 A:4EI200 2.2 14.2 0.8 C6 A:4EI200 2.4 18.9 0.8 F61 A:4EI200 2.6 21.8 0.8 F32 A:4EI200 2.7 15.5 0.8 C3 A:4EI200 2.7 12.4 0.8 F62 A:4EI200 2.8 27.2 0.8 O A:HOH429 2.8 12.7 0.7 F31 A:4EI200 2.8 13.8 0.8 F41 A:4EI200 2.9 15.7 0.8 F42 A:4EI200 3.4 16.7 0.8 O A:HOH412 3.4 10.2 1.0 O A:HOH429 3.4 10.8 0.3 O A:HOH397 3.7 11.1 1.0 C7 A:4EI200 3.8 19.7 0.8 O A:HOH381 3.8 11.6 1.0 O A:HOH487 3.9 9.5 0.5 CD2 A:LEU104 4.1 13.9 1.0 F73 A:4EI200 4.1 28.7 0.8 O A:HOH487 4.2 8.2 0.3 C2 A:4EI200 4.2 11.8 0.8 F71 A:4EI200 4.2 24.8 0.8 O A:HOH386 4.2 13.4 1.0 O A:HOH487 4.6 10.4 0.2 F21 A:4EI200 4.7 14.5 0.8 F52 A:4EI201 4.7 34.7 0.7 F72 A:4EI200 4.8 23.7 0.8 F22 A:4EI200 4.8 15.0 0.8

Fluorine binding site 7 out of 26 in the The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F200 b:18.0 occ:0.83 F52 A:4EI200 0.0 18.0 0.8 C5 A:4EI200 1.3 16.4 0.8 F51 A:4EI200 2.0 19.3 0.8 C6 A:4EI200 2.3 18.9 0.8 C4 A:4EI200 2.3 14.2 0.8 F61 A:4EI200 2.6 21.8 0.8 F42 A:4EI200 2.6 16.7 0.8 F31 A:4EI200 2.6 13.8 0.8 F73 A:4EI200 2.8 28.7 0.8 F52 A:4EI201 2.9 34.7 0.7 C7 A:4EI200 3.0 19.7 0.8 C3 A:4EI200 3.0 12.4 0.8 O A:HOH397 3.3 11.1 1.0 F31 A:4EI201 3.4 64.4 0.7 O A:HOH412 3.4 10.2 1.0 F62 A:4EI200 3.4 27.2 0.8 F41 A:4EI200 3.4 15.7 0.8 CB A:ALA75 3.5 12.2 1.0 F71 A:4EI200 3.7 24.8 0.8 F32 A:4EI200 3.8 15.5 0.8 O A:HOH429 4.1 12.7 0.7 F72 A:4EI200 4.2 23.7 0.8 C5 A:4EI201 4.3 45.2 0.7 F22 A:4EI200 4.3 15.0 0.8 C2 A:4EI200 4.3 11.8 0.8 N A:ALA75 4.5 10.0 1.0 C3 A:4EI201 4.6 124.3 0.7 F62 A:4EI201 4.6 21.2 0.7 CA A:ALA75 4.6 11.0 1.0 F71 A:4EI201 4.8 27.5 0.7 O A:HOH429 4.8 10.8 0.3 O A:HOH386 4.8 13.4 1.0 F42 A:4EI201 4.9 68.2 0.7 F21 A:4EI201 4.9 56.9 0.7 F51 A:4EI201 4.9 48.6 0.7 C4 A:4EI201 4.9 83.3 0.7 F21 A:4EI200 4.9 14.5 0.8

Fluorine binding site 8 out of 26 in the The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F200 b:15.7 occ:0.83 F41 A:4EI200 0.0 15.7 0.8 C4 A:4EI200 1.3 14.2 0.8 F42 A:4EI200 2.1 16.7 0.8 C5 A:4EI200 2.3 16.4 0.8 C3 A:4EI200 2.4 12.4 0.8 F32 A:4EI200 2.7 15.5 0.8 F21 A:4EI200 2.7 14.5 0.8 F62 A:4EI200 2.8 27.2 0.8 F71 A:4EI200 2.8 24.8 0.8 C6 A:4EI200 2.9 18.9 0.8 F51 A:4EI200 2.9 19.3 0.8 C2 A:4EI200 3.1 11.8 0.8 C7 A:4EI200 3.4 19.7 0.8 F52 A:4EI200 3.4 18.0 0.8 F31 A:4EI200 3.5 13.8 0.8 CE1 A:PHE16 3.5 12.8 1.0 CD1 A:LEU117 3.6 11.4 1.0 CE2 A:TYR19 3.7 10.1 1.0 F22 A:4EI200 3.7 15.0 0.8 CZ A:PHE16 4.1 12.9 1.0 F61 A:4EI200 4.1 21.8 0.8 F73 A:4EI200 4.1 28.7 0.8 CD2 A:TYR19 4.2 10.0 1.0 CD2 A:LEU117 4.4 14.3 1.0 C1 A:4EI200 4.4 10.0 0.8 F72 A:4EI200 4.5 23.7 0.8 CG A:LEU117 4.6 9.8 1.0 CD1 A:PHE16 4.6 10.8 1.0 CZ A:TYR19 4.7 9.3 1.0 O A:HOH381 4.8 11.6 1.0 OH A:TYR19 4.9 10.0 1.0 F52 A:4EI201 4.9 34.7 0.7 CD2 A:LEU104 5.0 13.9 1.0

Fluorine binding site 9 out of 26 in the The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F200 b:16.7 occ:0.83 F42 A:4EI200 0.0 16.7 0.8 C4 A:4EI200 1.4 14.2 0.8 F41 A:4EI200 2.1 15.7 0.8 C5 A:4EI200 2.2 16.4 0.8 C3 A:4EI200 2.4 12.4 0.8 F52 A:4EI200 2.6 18.0 0.8 F22 A:4EI200 2.6 15.0 0.8 F71 A:4EI200 2.7 24.8 0.8 F52 A:4EI201 2.9 34.7 0.7 C2 A:4EI200 2.9 11.8 0.8 F31 A:4EI200 2.9 13.8 0.8 F21 A:4EI200 3.0 14.5 0.8 C6 A:4EI200 3.1 18.9 0.8 C7 A:4EI200 3.1 19.7 0.8 F73 A:4EI200 3.1 28.7 0.8 CZ A:PHE16 3.2 12.9 1.0 F51 A:4EI200 3.4 19.3 0.8 CE1 A:PHE16 3.5 12.8 1.0 F32 A:4EI200 3.5 15.5 0.8 F42 A:4EI201 3.5 68.2 0.7 F51 A:4EI201 3.6 48.6 0.7 C5 A:4EI201 3.7 45.2 0.7 F62 A:4EI200 3.8 27.2 0.8 F31 A:4EI201 3.8 64.4 0.7 C4 A:4EI201 4.1 83.3 0.7 F61 A:4EI200 4.2 21.8 0.8 C1 A:4EI200 4.4 10.0 0.8 F72 A:4EI200 4.4 23.7 0.8 F21 A:4EI201 4.4 56.9 0.7 CE2 A:PHE16 4.4 13.1 1.0 F71 A:4EI201 4.5 27.5 0.7 C3 A:4EI201 4.5 124.3 0.7 CD1 A:PHE16 4.8 10.8 1.0 O1 A:4EI200 5.0 10.0 0.8

Fluorine binding site 10 out of 26 in the The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid- Binding Protein Complexed with Perfluoroheptanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F200 b:13.8 occ:0.83 F31 A:4EI200 0.0 13.8 0.8 C3 A:4EI200 1.4 12.4 0.8 F32 A:4EI200 2.2 15.5 0.8 C2 A:4EI200 2.3 11.8 0.8 C4 A:4EI200 2.3 14.2 0.8 F22 A:4EI200 2.6 15.0 0.8 F52 A:4EI200 2.6 18.0 0.8 F51 A:4EI200 2.8 19.3 0.8 C5 A:4EI200 2.8 16.4 0.8 O1 A:4EI200 2.8 10.0 0.8 O A:HOH386 2.9 13.4 1.0 F42 A:4EI200 2.9 16.7 0.8 C1 A:4EI200 3.0 10.0 0.8 O A:HOH397 3.0 11.1 1.0 F52 A:4EI201 3.3 34.7 0.7 F21 A:4EI200 3.4 14.5 0.8 F71 A:4EI201 3.5 27.5 0.7 F41 A:4EI200 3.5 15.7 0.8 O2 A:4EI200 4.1 10.6 0.8 C6 A:4EI200 4.3 18.9 0.8 C5 A:4EI201 4.4 45.2 0.7 CG2 A:THR53 4.4 13.4 1.0 F51 A:4EI201 4.5 48.6 0.7 O A:HOH487 4.6 9.5 0.5 O A:HOH412 4.7 10.2 1.0 C7 A:4EI201 4.7 24.6 0.7 F62 A:4EI201 4.8 21.2 0.7 O A:HOH487 4.8 10.4 0.2 F61 A:4EI200 4.9 21.8 0.8

S.Sugiyama, K.Kakinouchi, T.Hara, R.Nakano, S.Matsuoka, H.Tsuchikawa, M.Sonoyama, Y.Inoue, F.Hayashi, M.Murata. The 1.00 Angstrom X-Ray Structure of the Human Heart Fatty Acid-Binding Protein Complexed with Perfluoroheptanoic Acid To Be Published.