Fluorine in PDB 4hiq: The Structure of V122I Mutant Transthyretin in Complex with AG10

The structure of The Structure of V122I Mutant Transthyretin in Complex with AG10, PDB code: 4hiq was solved by S.Connelly, M.Alhamadsheh, I.Graef, I.A.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.91 / 1.18
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.727, 84.839, 63.910, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 18.6

The binding sites of Fluorine atom in the The Structure of V122I Mutant Transthyretin in Complex with AG10 (pdb code 4hiq). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the The Structure of V122I Mutant Transthyretin in Complex with AG10, PDB code: 4hiq:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the The Structure of V122I Mutant Transthyretin in Complex with AG10


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Structure of V122I Mutant Transthyretin in Complex with AG10 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:16.1 occ:0.50 FAE A:16V201 0.0 16.1 0.5 CAR A:16V201 1.4 14.0 0.5 CAF A:16V201 2.4 15.6 0.5 CAT A:16V201 2.4 14.3 0.5 OAN A:16V201 2.7 14.6 0.5 CB A:ALA108 3.1 12.7 1.0 CG2 A:THR119 3.4 11.1 1.0 CG2 A:VAL121 3.6 18.6 1.0 CAG A:16V201 3.6 15.4 0.5 CAH A:16V201 3.7 15.2 0.5 CAJ A:16V201 4.0 14.7 0.5 CAS A:16V201 4.2 16.0 0.5 CA A:ALA108 4.4 11.2 1.0 N A:ALA108 4.5 10.8 1.0 CG2 A:THR106 4.6 14.3 1.0 CAI A:16V201 4.7 17.0 0.5 CB A:VAL121 4.7 14.4 1.0 O A:THR119 4.8 11.5 1.0 CB A:THR119 4.9 10.1 1.0

Fluorine binding site 2 out of 2 in the The Structure of V122I Mutant Transthyretin in Complex with AG10


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The Structure of V122I Mutant Transthyretin in Complex with AG10 within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:16.4 occ:0.50 FAE B:16V201 0.0 16.4 0.5 CAR B:16V201 1.3 14.8 0.5 CAF B:16V201 2.3 16.8 0.5 CAT B:16V201 2.3 14.0 0.5 OAN B:16V201 2.6 13.8 0.5 CB B:ALA108 3.0 11.7 1.0 CG2 B:VAL121 3.2 17.0 1.0 CAG B:16V201 3.6 16.2 0.5 CAH B:16V201 3.6 15.7 0.5 CG2 B:THR119 3.6 10.9 1.0 CAJ B:16V201 4.1 13.6 0.5 CAS B:16V201 4.1 17.0 0.5 CB B:VAL121 4.3 14.1 1.0 CA B:ALA108 4.4 9.6 1.0 CG2 B:THR106 4.4 15.5 1.0 N B:ALA108 4.5 9.5 1.0 CAK B:16V201 4.5 10.1 0.5 CAI B:16V201 4.8 11.9 0.5 O B:THR119 4.9 9.7 1.0

S.C.Penchala, S.Connelly, Y.Wang, M.S.Park, L.Zhao, A.Baranczak, I.Rappley, H.Vogel, M.Liedtke, R.M.Witteles, E.T.Powers, N.Reixach, W.K.Chan, I.A.Wilson, J.W.Kelly, I.A.Graef, M.M.Alhamadsheh. AG10 Inhibits Amyloidogenesis and Cellular Toxicity of the Familial Amyloid Cardiomyopathy-Associated V122I Transthyretin. Proc.Natl.Acad.Sci.Usa V. 110 9992 2013.
ISSN: ISSN 0027-8424
PubMed: 23716704
DOI: 10.1073/PNAS.1300761110