Fluorine in PDB 1dvt: Crystal Structure of Human Transthyretin in Complex with Flurbiprofen

The structure of Crystal Structure of Human Transthyretin in Complex with Flurbiprofen, PDB code: 1dvt was solved by T.Klabunde, H.M.Petrassi, V.B.Oza, J.W.Kelly, J.C.Sacchettini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.90
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	43.380, 85.560, 64.880, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 22

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

Fluorine binding site 1 out of 2 in the Crystal Structure of Human Transthyretin in Complex with Flurbiprofen


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 in Complex with Flurbiprofen within 5.0Å range: probe atom residue distance (Å) B Occ A:F125 b:19.9 occ:0.50 F A:FLP125 0.0 19.9 0.5 C11 A:FLP125 1.4 19.9 0.5 C10 A:FLP125 2.4 19.9 0.5 C6 A:FLP125 2.5 19.9 0.5 C2 A:FLP125 3.0 19.9 0.5 C3 A:FLP125 3.2 19.9 0.5 C9 A:FLP125 3.7 19.9 0.5 C7 A:FLP125 3.7 19.9 0.5 C1 A:FLP125 4.0 19.9 0.5 C8 A:FLP125 4.2 19.9 0.5 C4 A:FLP125 4.4 19.9 0.5 C12 A:FLP125 4.9 19.9 0.5

Fluorine binding site 2 out of 2 in the Crystal Structure of Human Transthyretin in Complex with Flurbiprofen


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 in Complex with Flurbiprofen within 5.0Å range: probe atom residue distance (Å) B Occ A:F125 b:19.9 occ:0.50 F A:FLP125 0.0 19.9 0.5 C11 A:FLP125 1.4 19.9 0.5 C10 A:FLP125 2.4 19.9 0.5 C6 A:FLP125 2.5 19.9 0.5 C2 A:FLP125 3.0 19.9 0.5 C3 A:FLP125 3.3 19.9 0.5 C9 A:FLP125 3.7 19.9 0.5 C7 A:FLP125 3.8 19.9 0.5 C1 A:FLP125 4.0 19.9 0.5 C8 A:FLP125 4.2 19.9 0.5 C4 A:FLP125 4.4 19.9 0.5 C12 A:FLP125 4.9 19.9 0.5

T.Klabunde, H.M.Petrassi, V.B.Oza, P.Raman, J.W.Kelly, J.C.Sacchettini. Rational Design of Potent Human Transthyretin Amyloid Disease Inhibitors. Nat.Struct.Biol. V. 7 312 2000.
ISSN: ISSN 1072-8368
PubMed: 10742177
DOI: 10.1038/74082