Fluorine in PDB 5h9q: Crystal Structure of Human Galectin-7 in Complex with TD139

The structure of Crystal Structure of Human Galectin-7 in Complex with TD139, PDB code: 5h9q 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)	27.65 / 1.93
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.896, 64.426, 70.616, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 23.9

The binding sites of Fluorine atom in the Crystal Structure of Human Galectin-7 in Complex with TD139 (pdb code 5h9q). 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 Galectin-7 in Complex with TD139, PDB code: 5h9q:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Human Galectin-7 in Complex with TD139


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-7 in Complex with TD139 within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:46.3 occ:1.00 F18 B:TD2201 0.0 46.3 1.0 C14 B:TD2201 1.3 38.0 1.0 C13 B:TD2201 2.4 38.2 1.0 C15 B:TD2201 2.4 33.8 1.0 C16 B:TD2201 3.6 35.2 1.0 C12 B:TD2201 3.6 35.8 1.0 O B:HOH361 4.0 25.4 1.0 C17 B:TD2201 4.1 34.3 1.0 CA B:GLY125 4.8 24.2 1.0 C9 B:TD2201 4.9 33.9 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Human Galectin-7 in Complex with TD139


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 Galectin-7 in Complex with TD139 within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:62.3 occ:1.00 F28 B:TD2201 0.0 62.3 1.0 C26 B:TD2201 1.4 47.1 1.0 C25 B:TD2201 2.4 43.2 1.0 C27 B:TD2201 2.4 37.9 1.0 C22 B:TD2201 3.6 35.9 1.0 C24 B:TD2201 3.6 38.0 1.0 C23 B:TD2201 4.1 35.0 1.0 C10 B:TD2201 4.9 29.0 1.0 NH1 B:ARG74 5.0 32.2 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