Fluorine in PDB 4ik6: Crystal Structure of Human Transthyretin in Complex with Lumiracoxib

The structure of Crystal Structure of Human Transthyretin in Complex with Lumiracoxib, PDB code: 4ik6 was solved by L.M.T.R.Lima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.51 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	41.860, 83.220, 62.850, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 23.8

The structure of Crystal Structure of Human Transthyretin in Complex with Lumiracoxib also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of Human Transthyretin in Complex with Lumiracoxib (pdb code 4ik6). 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 Lumiracoxib, PDB code: 4ik6:
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 Lumiracoxib


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 Lumiracoxib within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:49.4 occ:0.50 FAD A:LUR201 0.0 49.4 0.5 CAP A:LUR201 1.4 44.7 0.5 CAG A:LUR201 2.4 43.1 0.5 CAJ A:LUR201 2.4 48.0 0.5 CAT A:LUR201 2.4 44.3 0.5 NAM A:LUR201 3.0 45.5 0.5 CAS A:LUR201 3.0 47.6 0.5 CAI A:LUR201 3.4 48.6 0.5 CAF A:LUR201 3.6 42.5 0.5 CB A:ALA108 3.7 21.1 1.0 CAQ A:LUR201 3.7 43.6 0.5 CAH A:LUR201 4.2 43.8 0.5 CAR A:LUR201 4.4 47.8 0.5 CG2 A:VAL121 4.5 26.7 1.0 CAO A:LUR201 4.7 48.1 0.5 CG2 A:THR119 4.7 26.4 1.0 CB A:THR119 4.8 26.6 1.0

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


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 Lumiracoxib within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:43.5 occ:0.50 FAD B:LUR201 0.0 43.5 0.5 CAP B:LUR201 1.4 48.3 0.5 CAT B:LUR201 2.4 48.7 0.5 CAG B:LUR201 2.4 49.0 0.5 NAM B:LUR201 2.6 48.0 0.5 OAB B:LUR201 2.9 46.6 0.5 CAQ B:LUR201 3.6 50.1 0.5 CAF B:LUR201 3.7 49.9 0.5 CG2 B:VAL121 3.8 30.5 1.0 CAS B:LUR201 3.9 50.2 0.5 CAN B:LUR201 3.9 46.1 0.5 CB B:ALA108 4.0 22.4 1.0 CAL B:LUR201 4.0 48.3 0.5 CAH B:LUR201 4.1 48.6 0.5 CAR B:LUR201 4.4 50.0 0.5 CG2 B:THR106 4.9 29.4 1.0 CB B:VAL121 4.9 30.4 1.0 CAJ B:LUR201 4.9 47.3 0.5 CD B:LYS15 5.0 24.5 0.5

L.M.T.R.Lima, L.M.T.R.Lima. N/A N/A.