Fluorine in PDB 5h9r: Crystal Structure of Human Galectin-3 Crd in Complex with Taztdg

The structure of Crystal Structure of Human Galectin-3 Crd in Complex with Taztdg, PDB code: 5h9r was solved by T.J.Hsieh, H.Y.Lin, C.H.Lin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.23 / 1.58
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.814, 57.690, 62.983, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 19.7

The binding sites of Fluorine atom in the Crystal Structure of Human Galectin-3 Crd in Complex with Taztdg (pdb code 5h9r). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Human Galectin-3 Crd in Complex with Taztdg, PDB code: 5h9r:

Fluorine binding site 1 out of 1 in the Crystal Structure of Human Galectin-3 Crd in Complex with Taztdg


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 Galectin-3 Crd in Complex with Taztdg within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:22.0 occ:1.00 F18 A:TGZ301 0.0 22.0 1.0 C14 A:TGZ301 1.3 20.0 1.0 C15 A:TGZ301 2.4 18.0 1.0 C13 A:TGZ301 2.4 15.7 1.0 C A:ILE145 3.1 12.4 1.0 O A:ILE145 3.2 11.8 1.0 CG A:ARG144 3.2 21.8 1.0 N A:ALA146 3.4 13.5 1.0 CB A:ALA146 3.4 14.5 1.0 N A:ILE145 3.4 12.8 1.0 CB A:ARG144 3.4 18.6 1.0 ND2 A:ASN160 3.5 13.3 1.0 CD A:ARG144 3.5 28.0 1.0 CA A:ILE145 3.6 13.3 1.0 C A:ARG144 3.6 15.1 1.0 C16 A:TGZ301 3.6 26.1 1.0 C12 A:TGZ301 3.6 20.9 1.0 CA A:ALA146 3.9 10.9 1.0 O A:ARG144 4.0 16.7 1.0 NE A:ARG144 4.0 32.2 1.0 C17 A:TGZ301 4.1 28.6 1.0 CA A:ARG144 4.1 14.2 1.0 CA A:GLY238 4.3 16.4 1.0 OG A:SER237 4.5 21.8 1.0 O A:SER237 4.6 14.2 1.0 CG A:ASN160 4.6 13.4 1.0 O A:HOH496 4.6 26.4 1.0 CZ A:ARG144 4.7 32.7 1.0 N A:GLY238 4.8 16.6 1.0 C A:SER237 4.8 13.6 1.0 C10 A:TGZ301 4.9 21.3 1.0

T.J.Hsieh, H.Y.Lin, Z.Tu, T.C.Lin, S.C.Wu, Y.Y.Tseng, F.T.Liu, S.T.Danny Hsu, C.H.Lin. Dual Thio-Digalactoside-Binding Modes of Human Galectins As the Structural Basis For the Design of Potent and Selective Inhibitors Sci Rep V. 6 29457 2016.
ISSN: ESSN 2045-2322
PubMed: 27416897
DOI: 10.1038/SREP29457