Fluorine in PDB 7ycq: Crystal Structure of Human Transthyretin Variant A97S Complexed with Diflunisal

The structure of Crystal Structure of Human Transthyretin Variant A97S Complexed with Diflunisal, PDB code: 7ycq was solved by Y.S.Wang, C.H.Huang, S.R.Tzeng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.26 / 1.99
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	86.114, 42.228, 64.075, 90, 90, 90
R / Rfree (%)	18.2 / 22.2

The binding sites of Fluorine atom in the Crystal Structure of Human Transthyretin Variant A97S Complexed with Diflunisal (pdb code 7ycq). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Human Transthyretin Variant A97S Complexed with Diflunisal, PDB code: 7ycq:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Crystal Structure of Human Transthyretin Variant A97S Complexed with Diflunisal


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 Human Transthyretin Variant A97S Complexed with Diflunisal within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:41.8 occ:0.49 FAT A:1FL201 0.0 41.8 0.5 CAN A:1FL201 1.3 48.6 0.5 CAM A:1FL201 2.3 49.5 0.5 CAO A:1FL201 2.4 39.1 0.5 CAQ A:1FL201 2.9 51.7 0.5 CAP A:1FL201 3.0 41.9 0.5 CB A:ALA108 3.2 30.1 1.0 CB A:THR119 3.2 34.4 1.0 CAF A:1FL201 3.5 50.6 0.5 CAH A:1FL201 3.6 41.6 0.5 OG1 A:THR119 3.7 43.3 1.0 CG2 A:THR119 3.7 31.4 1.0 CAG A:1FL201 4.1 46.2 0.5 CAR A:1FL201 4.2 42.6 0.5 CAI A:1FL201 4.3 46.9 0.5 CG2 A:VAL121 4.3 48.7 1.0 CA A:THR119 4.4 32.9 1.0 CA A:ALA108 4.6 33.1 1.0 O A:THR119 4.6 32.8 1.0 C A:THR119 4.6 29.2 1.0 FAE A:1FL201 4.7 57.9 0.5 N A:THR119 4.8 31.7 1.0

Fluorine binding site 2 out of 4 in the Crystal Structure of Human Transthyretin Variant A97S Complexed with Diflunisal


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 Human Transthyretin Variant A97S Complexed with Diflunisal within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:57.9 occ:0.49 FAE A:1FL201 0.0 57.9 0.5 CAF A:1FL201 1.4 50.6 0.5 O A:HOH351 2.3 62.2 1.0 CAM A:1FL201 2.4 49.5 0.5 CAG A:1FL201 2.4 46.2 0.5 CAN A:1FL201 3.6 48.6 0.5 CAH A:1FL201 3.6 41.6 0.5 CAO A:1FL201 4.2 39.1 0.5 FAT A:1FL201 4.7 41.8 0.5 CG2 A:VAL121 5.0 48.7 1.0

Fluorine binding site 3 out of 4 in the Crystal Structure of Human Transthyretin Variant A97S Complexed with Diflunisal


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 Human Transthyretin Variant A97S Complexed with Diflunisal within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:49.9 occ:0.43 FAT B:1FL201 0.0 49.9 0.4 CAN B:1FL201 1.3 47.3 0.4 CAM B:1FL201 2.3 46.8 0.4 CAO B:1FL201 2.4 42.0 0.4 CAP B:1FL201 2.9 42.2 0.4 CB B:ALA108 3.0 27.9 1.0 CAQ B:1FL201 3.0 45.4 0.4 CG2 B:THR119 3.1 32.5 0.7 CAF B:1FL201 3.6 38.9 0.4 CAH B:1FL201 3.6 43.1 0.4 CAI B:1FL201 4.1 44.9 0.4 CAG B:1FL201 4.1 40.3 0.4 CAR B:1FL201 4.2 39.3 0.4 CB B:THR119 4.4 32.3 0.3 CA B:ALA108 4.4 28.9 1.0 CB B:THR119 4.5 32.4 0.7 OG1 B:THR119 4.6 34.4 0.3 CG2 B:VAL121 4.6 32.0 1.0 FAE B:1FL201 4.7 40.0 0.4 C B:ALA108 4.9 25.6 1.0

Fluorine binding site 4 out of 4 in the Crystal Structure of Human Transthyretin Variant A97S Complexed with Diflunisal


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 Human Transthyretin Variant A97S Complexed with Diflunisal within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:40.0 occ:0.43 FAE B:1FL201 0.0 40.0 0.4 CAF B:1FL201 1.4 38.9 0.4 CAM B:1FL201 2.4 46.8 0.4 CAG B:1FL201 2.4 40.3 0.4 NZ B:LYS15 3.3 53.5 1.0 CD B:LYS15 3.5 40.9 1.0 CAN B:1FL201 3.6 47.3 0.4 CAH B:1FL201 3.6 43.1 0.4 CE B:LYS15 3.6 39.7 1.0 CAO B:1FL201 4.2 42.0 0.4 FAT B:1FL201 4.7 49.9 0.4 CG B:LYS15 5.0 37.4 1.0

Y.S.Wang, C.H.Huang, G.G.Liou, H.W.Hsueh, C.T.Liang, H.C.Tseng, S.J.Huang, C.C.Chao, S.T.Hsieh, S.R.Tzeng. A Molecular Basis For Tetramer Destabilization and Aggregation of Transthyretin ALA97SER. Protein Sci. V. 32 E4610 2023.
ISSN: ESSN 1469-896X
PubMed: 36851846
DOI: 10.1002/PRO.4610