Fluorine in PDB 6goo: Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4

The structure of Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4, PDB code: 6goo was solved by C.Grundstrom, J.Zhang, A.Olofsson, P.L.Andersson, A.E.Sauer-Eriksson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.17 / 1.80
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	59.608, 59.608, 116.040, 90.00, 90.00, 120.00
R / Rfree (%)	16.2 / 21.1

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 Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4 (pdb code 6goo). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 30 binding sites of Fluorine where determined in the Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4, PDB code: 6goo:
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 Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:18.6 occ:0.46 F01 A:8PF201 0.0 18.6 0.5 C02 A:8PF201 1.3 21.3 0.5 F03 A:8PF201 2.2 21.1 0.5 C04 A:8PF201 2.3 23.2 0.5 C10 A:8PF201 2.3 21.3 0.5 F14 A:8PF201 2.5 12.7 0.5 F12 A:8PF201 2.6 17.5 0.5 C07 A:8PF201 2.7 31.2 0.5 F05 A:8PF201 2.9 23.7 0.5 C13 A:8PF201 2.9 18.1 0.5 O08 A:8PF201 3.2 24.5 0.5 O09 A:8PF201 3.2 32.0 0.5 F06 A:8PF201 3.5 18.6 0.5 F11 A:8PF201 3.5 20.0 0.5 F15 A:8PF201 3.7 18.4 0.5 C16 A:8PF201 4.1 20.0 0.5 F18 A:8PF201 4.1 12.5 0.5 CD1 A:LEU17 4.3 11.5 1.0 F17 A:8PF201 4.8 25.4 0.5

Fluorine binding site 2 out of 30 in the Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:21.1 occ:0.46 F03 A:8PF201 0.0 21.1 0.5 C02 A:8PF201 1.3 21.3 0.5 F01 A:8PF201 2.2 18.6 0.5 C04 A:8PF201 2.3 23.2 0.5 C10 A:8PF201 2.3 21.3 0.5 F15 A:8PF201 2.6 18.4 0.5 F06 A:8PF201 2.6 18.6 0.5 C13 A:8PF201 2.7 18.1 0.5 F14 A:8PF201 2.8 12.7 0.5 F11 A:8PF201 2.8 20.0 0.5 C07 A:8PF201 3.0 31.2 0.5 O09 A:8PF201 3.0 32.0 0.5 F05 A:8PF201 3.5 23.7 0.5 F12 A:8PF201 3.5 17.5 0.5 CG A:LYS15 3.6 17.8 1.0 CD1 A:LEU17 3.7 11.5 1.0 O08 A:8PF201 4.1 24.5 0.5 CG A:LEU17 4.1 13.0 1.0 C16 A:8PF201 4.2 20.0 0.5 CB A:LYS15 4.4 14.0 1.0 F24 A:8PF201 4.5 25.6 0.5 CB A:ALA108 4.5 12.1 1.0 CD2 A:LEU17 4.6 15.0 1.0 F17 A:8PF201 4.6 25.4 0.5 CE A:LYS15 4.7 20.3 1.0 CD A:LYS15 4.7 12.5 1.0 F18 A:8PF201 4.8 12.5 0.5 F21 A:8PF201 4.9 14.9 0.5 C19 A:8PF201 5.0 23.0 0.5

Fluorine binding site 3 out of 30 in the Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:23.7 occ:0.46 F05 A:8PF201 0.0 23.7 0.5 C04 A:8PF201 1.3 23.2 0.5 F06 A:8PF201 2.2 18.6 0.5 C02 A:8PF201 2.3 21.3 0.5 C07 A:8PF201 2.4 31.2 0.5 O08 A:8PF201 2.5 24.5 0.5 F12 A:8PF201 2.7 17.5 0.5 C10 A:8PF201 2.8 21.3 0.5 F01 A:8PF201 2.9 18.6 0.5 F11 A:8PF201 3.0 20.0 0.5 F03 A:8PF201 3.5 21.1 0.5 O09 A:8PF201 3.5 32.0 0.5 C13 A:8PF201 4.3 18.1 0.5 F14 A:8PF201 4.7 12.7 0.5 F15 A:8PF201 4.9 18.4 0.5

Fluorine binding site 4 out of 30 in the Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:18.6 occ:0.46 F06 A:8PF201 0.0 18.6 0.5 C04 A:8PF201 1.3 23.2 0.5 F05 A:8PF201 2.2 23.7 0.5 C02 A:8PF201 2.3 21.3 0.5 C07 A:8PF201 2.4 31.2 0.5 F03 A:8PF201 2.6 21.1 0.5 F11 A:8PF201 2.7 20.0 0.5 O09 A:8PF201 2.9 32.0 0.5 C10 A:8PF201 3.1 21.3 0.5 O08 A:8PF201 3.3 24.5 0.5 F01 A:8PF201 3.5 18.6 0.5 CG A:LYS15 3.7 17.8 1.0 F12 A:8PF201 3.8 17.5 0.5 CB A:LYS15 4.0 14.0 1.0 CB A:ALA108 4.2 12.1 1.0 C13 A:8PF201 4.3 18.1 0.5 F15 A:8PF201 4.3 18.4 0.5 F14 A:8PF201 4.9 12.7 0.5 CD A:LYS15 4.9 12.5 1.0 CG2 A:THR106 5.0 17.1 1.0

Fluorine binding site 5 out of 30 in the Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:20.0 occ:0.46 F11 A:8PF201 0.0 20.0 0.5 C10 A:8PF201 1.3 21.3 0.5 F12 A:8PF201 2.2 17.5 0.5 C13 A:8PF201 2.3 18.1 0.5 C02 A:8PF201 2.3 21.3 0.5 F17 A:8PF201 2.6 25.4 0.5 F15 A:8PF201 2.6 18.4 0.5 F06 A:8PF201 2.7 18.6 0.5 C04 A:8PF201 2.8 23.2 0.5 F03 A:8PF201 2.8 21.1 0.5 F05 A:8PF201 3.0 23.7 0.5 C16 A:8PF201 3.0 20.0 0.5 CB A:ALA108 3.1 12.1 1.0 F01 A:8PF201 3.5 18.6 0.5 F14 A:8PF201 3.5 12.7 0.5 F18 A:8PF201 3.8 12.5 0.5 F25 A:8PF201 4.1 26.8 0.5 F24 A:8PF201 4.2 25.6 0.5 C19 A:8PF201 4.2 23.0 0.5 C07 A:8PF201 4.3 31.2 0.5 C22 A:8PF201 4.4 15.0 0.5 CG2 A:THR119 4.5 14.6 1.0 CA A:ALA108 4.5 12.5 1.0 F21 A:8PF201 4.8 14.9 0.5 O09 A:8PF201 5.0 32.0 0.5

Fluorine binding site 6 out of 30 in the Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:17.5 occ:0.46 F12 A:8PF201 0.0 17.5 0.5 C10 A:8PF201 1.3 21.3 0.5 F11 A:8PF201 2.2 20.0 0.5 C13 A:8PF201 2.3 18.1 0.5 C02 A:8PF201 2.3 21.3 0.5 F18 A:8PF201 2.6 12.5 0.5 F01 A:8PF201 2.6 18.6 0.5 C16 A:8PF201 2.7 20.0 0.5 F05 A:8PF201 2.7 23.7 0.5 F17 A:8PF201 2.8 25.4 0.5 F14 A:8PF201 2.9 12.7 0.5 C04 A:8PF201 3.0 23.2 0.5 F03 A:8PF201 3.5 21.1 0.5 F15 A:8PF201 3.5 18.4 0.5 F06 A:8PF201 3.8 18.6 0.5 C19 A:8PF201 4.2 23.0 0.5 C07 A:8PF201 4.3 31.2 0.5 F21 A:8PF201 4.6 14.9 0.5 O08 A:8PF201 4.6 24.5 0.5 F20 A:8PF201 4.8 20.8 0.5 F25 A:8PF201 5.0 26.8 0.5

Fluorine binding site 7 out of 30 in the Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:12.7 occ:0.46 F14 A:8PF201 0.0 12.7 0.5 C13 A:8PF201 1.3 18.1 0.5 F15 A:8PF201 2.2 18.4 0.5 C16 A:8PF201 2.3 20.0 0.5 C10 A:8PF201 2.3 21.3 0.5 F01 A:8PF201 2.5 18.6 0.5 F21 A:8PF201 2.5 14.9 0.5 F18 A:8PF201 2.6 12.5 0.5 C02 A:8PF201 2.7 21.3 0.5 F03 A:8PF201 2.8 21.1 0.5 F12 A:8PF201 2.9 17.5 0.5 C19 A:8PF201 3.0 23.0 0.5 CD1 A:LEU17 3.4 11.5 1.0 F17 A:8PF201 3.5 25.4 0.5 F11 A:8PF201 3.5 20.0 0.5 F24 A:8PF201 3.7 25.6 0.5 C22 A:8PF201 3.9 15.0 0.5 F20 A:8PF201 4.0 20.8 0.5 C04 A:8PF201 4.2 23.2 0.5 CG A:LEU17 4.5 13.0 1.0 F25 A:8PF201 4.6 26.8 0.5 F05 A:8PF201 4.7 23.7 0.5 F06 A:8PF201 4.9 18.6 0.5 F23 A:8PF201 4.9 25.4 0.5 C07 A:8PF201 5.0 31.2 0.5

Fluorine binding site 8 out of 30 in the Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:18.4 occ:0.46 F15 A:8PF201 0.0 18.4 0.5 C13 A:8PF201 1.3 18.1 0.5 F24 A:8PF201 2.0 25.6 0.5 F14 A:8PF201 2.2 12.7 0.5 C16 A:8PF201 2.3 20.0 0.5 C10 A:8PF201 2.3 21.3 0.5 F03 A:8PF201 2.6 21.1 0.5 F11 A:8PF201 2.6 20.0 0.5 C19 A:8PF201 2.7 23.0 0.5 C22 A:8PF201 2.7 15.0 0.5 F21 A:8PF201 2.8 14.9 0.5 F17 A:8PF201 2.9 25.4 0.5 C02 A:8PF201 3.0 21.3 0.5 F25 A:8PF201 3.2 26.8 0.5 F18 A:8PF201 3.5 12.5 0.5 F12 A:8PF201 3.5 17.5 0.5 CB A:ALA108 3.6 12.1 1.0 F01 A:8PF201 3.7 18.6 0.5 CD1 A:LEU17 3.9 11.5 1.0 F23 A:8PF201 3.9 25.4 0.5 F20 A:8PF201 4.0 20.8 0.5 C04 A:8PF201 4.3 23.2 0.5 F06 A:8PF201 4.3 18.6 0.5 CG A:LEU17 4.4 13.0 1.0 N A:LEU109 4.6 11.0 1.0 CA A:ALA108 4.7 12.5 1.0 C A:ALA108 4.8 14.4 1.0 F05 A:8PF201 4.9 23.7 0.5

Fluorine binding site 9 out of 30 in the Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:25.4 occ:0.46 F17 A:8PF201 0.0 25.4 0.5 C16 A:8PF201 1.3 20.0 0.5 F18 A:8PF201 2.2 12.5 0.5 C13 A:8PF201 2.3 18.1 0.5 C19 A:8PF201 2.3 23.0 0.5 F25 A:8PF201 2.4 26.8 0.5 F11 A:8PF201 2.6 20.0 0.5 C10 A:8PF201 2.7 21.3 0.5 F12 A:8PF201 2.8 17.5 0.5 C22 A:8PF201 2.8 15.0 0.5 F20 A:8PF201 2.8 20.8 0.5 F15 A:8PF201 2.9 18.4 0.5 F24 A:8PF201 3.4 25.6 0.5 F14 A:8PF201 3.5 12.7 0.5 F21 A:8PF201 3.5 14.9 0.5 CG2 A:THR119 3.5 14.6 1.0 F23 A:8PF201 4.0 25.4 0.5 CB A:ALA108 4.2 12.1 1.0 C02 A:8PF201 4.2 21.3 0.5 F03 A:8PF201 4.6 21.1 0.5 F01 A:8PF201 4.8 18.6 0.5 CB A:THR119 4.8 18.7 1.0

Fluorine binding site 10 out of 30 in the Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of Sea Bream Transthyretin in Complex with Perfluorooctanoic Acid (Pfoa). Crystallized in AMSO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:12.5 occ:0.46 F18 A:8PF201 0.0 12.5 0.5 C16 A:8PF201 1.3 20.0 0.5 F17 A:8PF201 2.2 25.4 0.5 C19 A:8PF201 2.3 23.0 0.5 C13 A:8PF201 2.3 18.1 0.5 F20 A:8PF201 2.5 20.8 0.5 F14 A:8PF201 2.6 12.7 0.5 F12 A:8PF201 2.6 17.5 0.5 F21 A:8PF201 2.8 14.9 0.5 C10 A:8PF201 3.0 21.3 0.5 F15 A:8PF201 3.5 18.4 0.5 C22 A:8PF201 3.7 15.0 0.5 F11 A:8PF201 3.8 20.0 0.5 F25 A:8PF201 4.0 26.8 0.5 F01 A:8PF201 4.1 18.6 0.5 C02 A:8PF201 4.2 21.3 0.5 F24 A:8PF201 4.3 25.6 0.5 F23 A:8PF201 4.6 25.4 0.5 F03 A:8PF201 4.8 21.1 0.5

J.Zhang, C.Grundstrom, K.Brannstrom, I.Iakovleva, M.Lindberg, A.Olofsson, P.L.Andersson, A.E.Sauer-Eriksson. Interspecies Variation Between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals. Environ. Sci. Technol. V. 52 11865 2018.
ISSN: ISSN 1520-5851
PubMed: 30226982
DOI: 10.1021/ACS.EST.8B03581