Fluorine in PDB 9miw: Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa)

The structure of Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa), PDB code: 9miw was solved by A.B.Birchfield, F.N.Musayev, B.Fuglestad, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.51 / 1.24
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	118.752, 37.716, 28.546, 90, 93.02, 90
R / Rfree (%)	12.4 / 15.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30;

Binding sites:

The binding sites of Fluorine atom in the Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa) (pdb code 9miw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 30 binding sites of Fluorine where determined in the Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa), PDB code: 9miw:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 30 in the Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa) within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:16.7 occ:1.00 F01 A:8PF201 0.0 16.7 1.0 C02 A:8PF201 1.4 15.2 1.0 F03 A:8PF201 2.2 14.2 1.0 C04 A:8PF201 2.3 16.9 1.0 C10 A:8PF201 2.4 15.4 1.0 F14 A:8PF201 2.5 14.2 1.0 F06 A:8PF201 2.7 17.4 1.0 F11 A:8PF201 2.7 13.6 1.0 C07 A:8PF201 2.8 16.3 1.0 O08 A:8PF201 2.9 15.4 1.0 C13 A:8PF201 3.0 13.4 1.0 CZ A:PHE16 3.4 11.2 1.0 NE A:ARG126 3.5 9.2 1.0 F05 A:8PF201 3.5 19.4 1.0 CE1 A:PHE16 3.5 10.9 1.0 F12 A:8PF201 3.6 19.0 1.0 F23 A:8PF202 3.7 56.5 1.0 F15 A:8PF201 3.8 13.4 1.0 NH2 A:ARG126 3.8 12.0 1.0 O09 A:8PF201 3.9 17.3 1.0 CZ A:ARG126 3.9 10.5 1.0 F20 A:8PF202 4.2 52.8 1.0 CD A:ARG126 4.2 8.7 1.0 C16 A:8PF201 4.2 12.8 1.0 F17 A:8PF201 4.2 13.6 1.0 F25 A:8PF202 4.4 56.4 1.0 CE2 A:PHE16 4.5 11.6 1.0 C22 A:8PF202 4.6 56.2 1.0 CD1 A:PHE16 4.7 9.8 1.0 F18 A:8PF201 4.9 14.0 1.0 NH1 A:ARG126 4.9 10.9 1.0 C19 A:8PF202 5.0 53.7 1.0

Fluorine binding site 2 out of 30 in the Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa) within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:14.2 occ:1.00 F03 A:8PF201 0.0 14.2 1.0 C02 A:8PF201 1.4 15.2 1.0 F01 A:8PF201 2.2 16.7 1.0 C04 A:8PF201 2.3 16.9 1.0 C10 A:8PF201 2.4 15.4 1.0 C07 A:8PF201 2.7 16.3 1.0 F15 A:8PF201 2.8 13.4 1.0 F05 A:8PF201 2.8 19.4 1.0 C13 A:8PF201 2.8 13.4 1.0 F12 A:8PF201 2.9 19.0 1.0 F14 A:8PF201 3.0 14.2 1.0 O09 A:8PF201 3.1 17.3 1.0 F25 A:8PF202 3.3 56.4 1.0 O A:HOH462 3.4 28.2 1.0 F06 A:8PF201 3.5 17.4 1.0 O08 A:8PF201 3.5 15.4 1.0 F23 A:8PF202 3.5 56.5 1.0 F11 A:8PF201 3.6 13.6 1.0 C22 A:8PF202 4.0 56.2 1.0 C16 A:8PF201 4.4 12.8 1.0 F20 A:8PF202 4.4 52.8 1.0 O A:HOH375 4.7 26.6 1.0 F25 A:8PF201 4.8 18.3 1.0 F18 A:8PF201 4.8 14.0 1.0 O A:HOH430 4.9 22.1 1.0 C19 A:8PF202 4.9 53.7 1.0 OG A:SER53 5.0 25.7 1.0

Fluorine binding site 3 out of 30 in the Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa) within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:19.4 occ:1.00 F05 A:8PF201 0.0 19.4 1.0 C04 A:8PF201 1.4 16.9 1.0 F06 A:8PF201 2.2 17.4 1.0 C07 A:8PF201 2.4 16.3 1.0 C02 A:8PF201 2.4 15.2 1.0 F12 A:8PF201 2.6 19.0 1.0 O09 A:8PF201 2.6 17.3 1.0 F03 A:8PF201 2.8 14.2 1.0 C10 A:8PF201 3.0 15.4 1.0 F01 A:8PF201 3.5 16.7 1.0 F11 A:8PF201 3.5 13.6 1.0 O08 A:8PF201 3.5 15.4 1.0 CG1 A:VAL115 3.6 8.2 1.0 O A:HOH375 3.7 26.6 1.0 CG2 A:ILE104 4.1 7.0 1.0 NH2 A:ARG106 4.1 7.1 1.0 SG A:CYS117 4.3 10.5 1.0 C13 A:8PF201 4.3 13.4 1.0 CD1 A:ILE104 4.5 9.9 1.0 F15 A:8PF201 4.5 13.4 1.0 CB A:VAL115 4.7 6.1 1.0 CZ A:ARG106 4.8 6.5 1.0 NE A:ARG106 4.8 6.4 1.0 F14 A:8PF201 4.9 14.2 1.0 CG2 A:VAL115 5.0 7.2 1.0

Fluorine binding site 4 out of 30 in the Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa) within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:17.4 occ:1.00 F06 A:8PF201 0.0 17.4 1.0 C04 A:8PF201 1.4 16.9 1.0 F05 A:8PF201 2.2 19.4 1.0 C07 A:8PF201 2.3 16.3 1.0 C02 A:8PF201 2.4 15.2 1.0 F01 A:8PF201 2.7 16.7 1.0 O08 A:8PF201 2.7 15.4 1.0 F11 A:8PF201 2.8 13.6 1.0 C10 A:8PF201 3.0 15.4 1.0 O09 A:8PF201 3.4 17.3 1.0 SG A:CYS117 3.4 10.5 1.0 CG1 A:VAL115 3.5 8.2 1.0 F12 A:8PF201 3.5 19.0 1.0 F03 A:8PF201 3.5 14.2 1.0 NE A:ARG126 3.7 9.2 1.0 CD A:ARG126 3.7 8.7 1.0 O A:HOH434 3.7 11.6 1.0 CB A:VAL115 4.2 6.1 1.0 C13 A:8PF201 4.5 13.4 1.0 CE1 A:PHE16 4.6 10.9 1.0 F14 A:8PF201 4.7 14.2 1.0 CZ A:ARG126 4.8 10.5 1.0 CG A:ARG126 4.8 7.8 1.0 CG2 A:VAL115 4.9 7.2 1.0 CB A:ARG126 4.9 6.1 1.0

Fluorine binding site 5 out of 30 in the Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa) within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:13.6 occ:1.00 F11 A:8PF201 0.0 13.6 1.0 C10 A:8PF201 1.4 15.4 1.0 F12 A:8PF201 2.2 19.0 1.0 C13 A:8PF201 2.4 13.4 1.0 C02 A:8PF201 2.4 15.2 1.0 F17 A:8PF201 2.7 13.6 1.0 F01 A:8PF201 2.7 16.7 1.0 C16 A:8PF201 2.8 12.8 1.0 F06 A:8PF201 2.8 17.4 1.0 F18 A:8PF201 2.9 14.0 1.0 F14 A:8PF201 2.9 14.2 1.0 C04 A:8PF201 3.0 16.9 1.0 CE1 A:PHE16 3.4 10.9 1.0 F15 A:8PF201 3.5 13.4 1.0 F05 A:8PF201 3.5 19.4 1.0 F03 A:8PF201 3.6 14.2 1.0 SG A:CYS117 3.7 10.5 1.0 CE2 A:TYR19 4.0 6.9 1.0 CZ A:PHE16 4.1 11.2 1.0 C19 A:8PF201 4.3 15.4 1.0 CD1 A:PHE16 4.4 9.8 1.0 CD2 A:TYR19 4.5 7.2 1.0 C07 A:8PF201 4.5 16.3 1.0 CB A:CYS117 4.8 9.7 1.0 F20 A:8PF201 4.9 15.6 1.0 CZ A:TYR19 4.9 6.5 1.0 F21 A:8PF201 4.9 14.9 1.0 O08 A:8PF201 4.9 15.4 1.0

Fluorine binding site 6 out of 30 in the Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa) within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:19.0 occ:1.00 F12 A:8PF201 0.0 19.0 1.0 C10 A:8PF201 1.4 15.4 1.0 F11 A:8PF201 2.2 13.6 1.0 C13 A:8PF201 2.3 13.4 1.0 C02 A:8PF201 2.4 15.2 1.0 F15 A:8PF201 2.5 13.4 1.0 F05 A:8PF201 2.6 19.4 1.0 F18 A:8PF201 2.7 14.0 1.0 F03 A:8PF201 2.9 14.2 1.0 C04 A:8PF201 2.9 16.9 1.0 C16 A:8PF201 3.1 12.8 1.0 F14 A:8PF201 3.5 14.2 1.0 O A:HOH448 3.5 8.5 1.0 F06 A:8PF201 3.5 17.4 1.0 F01 A:8PF201 3.6 16.7 1.0 CD1 A:ILE104 3.7 9.9 1.0 F17 A:8PF201 3.9 13.6 1.0 O A:HOH366 4.3 6.7 1.0 F20 A:8PF201 4.3 15.6 1.0 C07 A:8PF201 4.3 16.3 1.0 C19 A:8PF201 4.3 15.4 1.0 O A:HOH462 4.5 28.2 1.0 SG A:CYS117 4.5 10.5 1.0 O A:HOH391 4.5 10.4 1.0 CG1 A:ILE104 4.7 8.0 1.0 O09 A:8PF201 4.8 17.3 1.0 O A:HOH421 4.8 10.7 1.0

Fluorine binding site 7 out of 30 in the Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa) within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:14.2 occ:1.00 F14 A:8PF201 0.0 14.2 1.0 C13 A:8PF201 1.4 13.4 1.0 F15 A:8PF201 2.2 13.4 1.0 C16 A:8PF201 2.3 12.8 1.0 C10 A:8PF201 2.3 15.4 1.0 F01 A:8PF201 2.5 16.7 1.0 F17 A:8PF201 2.6 13.6 1.0 F25 A:8PF201 2.7 18.3 1.0 C02 A:8PF201 2.7 15.2 1.0 F11 A:8PF201 2.9 13.6 1.0 F03 A:8PF201 3.0 14.2 1.0 F24 A:8PF201 3.0 19.6 1.0 C22 A:8PF201 3.0 17.7 1.0 C19 A:8PF201 3.1 15.4 1.0 F20 A:8PF202 3.3 52.8 1.0 CZ A:PHE16 3.4 11.2 1.0 F12 A:8PF201 3.5 19.0 1.0 F18 A:8PF201 3.5 14.0 1.0 CE1 A:PHE16 3.8 10.9 1.0 F20 A:8PF201 3.8 15.6 1.0 F25 A:8PF202 4.1 56.4 1.0 C04 A:8PF201 4.2 16.9 1.0 F21 A:8PF201 4.2 14.9 1.0 F23 A:8PF202 4.3 56.5 1.0 F23 A:8PF201 4.4 19.7 1.0 C19 A:8PF202 4.4 53.7 1.0 F15 A:8PF202 4.4 45.7 1.0 C22 A:8PF202 4.5 56.2 1.0 CE2 A:PHE16 4.6 11.6 1.0 F06 A:8PF201 4.7 17.4 1.0 O A:HOH462 4.8 28.2 1.0 F18 A:8PF202 4.8 49.9 1.0 F05 A:8PF201 4.9 19.4 1.0

Fluorine binding site 8 out of 30 in the Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa) within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:13.4 occ:1.00 F15 A:8PF201 0.0 13.4 1.0 C13 A:8PF201 1.4 13.4 1.0 F14 A:8PF201 2.2 14.2 1.0 C10 A:8PF201 2.3 15.4 1.0 C16 A:8PF201 2.3 12.8 1.0 F12 A:8PF201 2.5 19.0 1.0 F20 A:8PF201 2.7 15.6 1.0 F03 A:8PF201 2.8 14.2 1.0 C19 A:8PF201 2.8 15.4 1.0 F18 A:8PF201 2.9 14.0 1.0 F25 A:8PF201 2.9 18.3 1.0 C02 A:8PF201 3.1 15.2 1.0 O A:HOH462 3.1 28.2 1.0 O A:HOH421 3.3 10.7 1.0 C22 A:8PF201 3.4 17.7 1.0 F11 A:8PF201 3.5 13.6 1.0 F17 A:8PF201 3.5 13.6 1.0 O A:HOH448 3.6 8.5 1.0 F01 A:8PF201 3.8 16.7 1.0 F25 A:8PF202 4.0 56.4 1.0 F21 A:8PF201 4.1 14.9 1.0 F24 A:8PF201 4.1 19.6 1.0 C04 A:8PF201 4.4 16.9 1.0 F23 A:8PF201 4.4 19.7 1.0 F05 A:8PF201 4.5 19.4 1.0 F20 A:8PF202 4.6 52.8 1.0 CB A:ALA75 4.7 12.6 1.0 F18 A:8PF202 4.8 49.9 1.0

Fluorine binding site 9 out of 30 in the Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa) within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:13.6 occ:1.00 F17 A:8PF201 0.0 13.6 1.0 C16 A:8PF201 1.4 12.8 1.0 F18 A:8PF201 2.2 14.0 1.0 C19 A:8PF201 2.3 15.4 1.0 C13 A:8PF201 2.4 13.4 1.0 F21 A:8PF201 2.6 14.9 1.0 F14 A:8PF201 2.6 14.2 1.0 F11 A:8PF201 2.7 13.6 1.0 F24 A:8PF201 2.7 19.6 1.0 C22 A:8PF201 3.1 17.7 1.0 C10 A:8PF201 3.1 15.4 1.0 CE1 A:PHE16 3.5 10.9 1.0 F20 A:8PF201 3.5 15.6 1.0 F15 A:8PF201 3.5 13.4 1.0 CG A:MET20 3.6 8.5 1.0 F25 A:8PF201 3.8 18.3 1.0 CZ A:PHE16 3.8 11.2 1.0 CE2 A:TYR19 3.8 6.9 1.0 F12 A:8PF201 3.9 19.0 1.0 SD A:MET20 4.0 8.4 1.0 CD2 A:TYR19 4.1 7.2 1.0 F23 A:8PF201 4.2 19.7 1.0 F01 A:8PF201 4.2 16.7 1.0 C02 A:8PF201 4.3 15.2 1.0 CD1 A:PHE16 4.6 9.8 1.0 O A:HOH366 4.9 6.7 1.0 CB A:MET20 5.0 7.3 1.0

Fluorine binding site 10 out of 30 in the Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Fatty Acid Binding Protein 4 (FABP4) Complexed with Perfluorooctanoic Acid (Pfoa) within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:14.0 occ:1.00 F18 A:8PF201 0.0 14.0 1.0 C16 A:8PF201 1.4 12.8 1.0 F17 A:8PF201 2.2 13.6 1.0 C19 A:8PF201 2.3 15.4 1.0 C13 A:8PF201 2.3 13.4 1.0 F20 A:8PF201 2.6 15.6 1.0 F21 A:8PF201 2.7 14.9 1.0 F12 A:8PF201 2.7 19.0 1.0 C10 A:8PF201 2.8 15.4 1.0 F15 A:8PF201 2.9 13.4 1.0 F11 A:8PF201 2.9 13.6 1.0 O A:HOH366 2.9 6.7 1.0 O A:HOH448 3.5 8.5 1.0 F14 A:8PF201 3.5 14.2 1.0 C22 A:8PF201 3.7 17.7 1.0 CE2 A:TYR19 3.8 6.9 1.0 NH2 A:ARG78 4.0 7.0 1.0 F24 A:8PF201 4.2 19.6 1.0 OH A:TYR19 4.3 6.8 1.0 F25 A:8PF201 4.3 18.3 1.0 C02 A:8PF201 4.3 15.2 1.0 CZ A:TYR19 4.6 6.5 1.0 F23 A:8PF201 4.6 19.7 1.0 O A:HOH421 4.8 10.7 1.0 CD2 A:TYR19 4.8 7.2 1.0 F03 A:8PF201 4.8 14.2 1.0 CD1 A:ILE104 4.9 9.9 1.0 F01 A:8PF201 4.9 16.7 1.0

A.S.Birchfield, F.N.Musayev, A.J.Castillo, G.Zorn, B.Fuglestad. Broad Pfas Binding with Fatty Acid Binding Protein 4 Is Enabled By Variable Binding Modes Jacs Au 2025.
ISSN: ESSN 2691-3704
DOI: 10.1021/JACSAU.5C00504