Fluorine in PDB 6tf6: Human Galectin-3C in Complex with A Galactose Derivative

The structure of Human Galectin-3C in Complex with A Galactose Derivative, PDB code: 6tf6 was solved by U.J.Nilsson, F.Zetterberg, M.Hakansson, D.T.Logan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.02 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.850, 57.340, 62.040, 90.00, 90.00, 90.00
R / Rfree (%)	11.7 / 17.4

The structure of Human Galectin-3C in Complex with A Galactose Derivative also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Fluorine atom in the Human Galectin-3C in Complex with A Galactose Derivative (pdb code 6tf6). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Human Galectin-3C in Complex with A Galactose Derivative, PDB code: 6tf6:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Human Galectin-3C in Complex with A Galactose Derivative


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Galectin-3C in Complex with A Galactose Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:F3003 b:33.0 occ:1.00 F3 A:N623003 0.0 33.0 1.0 C11 A:N623003 1.3 27.1 1.0 C13 A:N623003 2.3 23.5 1.0 C10 A:N623003 2.3 22.1 1.0 C19 A:N623003 2.8 24.5 1.0 CG A:GLU165 3.3 21.4 1.0 O A:HOH3186 3.3 34.7 1.0 CA A:GLU165 3.5 18.7 1.0 C1 A:N623003 3.6 26.5 1.0 C12 A:N623003 3.6 23.3 1.0 CB A:GLU165 3.7 18.8 1.0 O A:ASN164 4.0 20.2 1.0 C16 A:N623003 4.1 19.2 1.0 C20 A:N623003 4.2 24.2 1.0 OE2 A:GLU165 4.3 22.9 1.0 CD A:GLU165 4.3 23.5 1.0 N A:ASN166 4.4 19.9 1.0 C A:GLU165 4.4 16.9 1.0 N A:GLU165 4.6 14.2 1.0 C A:ASN164 4.8 14.6 1.0 C22 A:N623003 4.8 23.6 1.0 NH1 A:ARG162 4.9 11.4 1.0 O A:HOH3157 4.9 39.1 1.0

Fluorine binding site 2 out of 3 in the Human Galectin-3C in Complex with A Galactose Derivative


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Galectin-3C in Complex with A Galactose Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:F3003 b:23.4 occ:1.00 F2 A:N623003 0.0 23.4 1.0 C26 A:N623003 1.3 19.2 1.0 C25 A:N623003 2.3 19.6 1.0 C17 A:N623003 2.3 17.5 1.0 F1 A:N623003 2.7 27.1 1.0 C6 A:N623003 2.7 23.7 1.0 ND2 A:ASN160 3.2 11.9 1.0 CB A:ALA146 3.3 13.0 1.0 CD A:ARG144 3.5 30.0 1.0 C24 A:N623003 3.5 22.5 1.0 C14 A:N623003 3.5 23.1 1.0 O A:HOH3158 3.7 17.3 1.0 CG A:ARG144 3.8 19.6 1.0 O A:ILE145 3.8 9.1 1.0 CB A:ARG144 3.9 14.7 1.0 C A:ILE145 3.9 9.7 1.0 C23 A:N623003 4.0 24.0 1.0 CG A:ASN160 4.0 11.2 1.0 N A:ALA146 4.1 11.2 1.0 C4 A:N623003 4.1 25.5 1.0 O A:HOH3113 4.2 29.1 1.0 NE A:ARG144 4.2 50.2 1.0 CA A:ALA146 4.3 11.2 1.0 OD1 A:ASN160 4.4 11.8 1.0 N A:ILE145 4.5 10.7 1.0 CA A:ILE145 4.7 10.2 1.0 NH1 A:ARG144 4.7 34.1 1.0 O4 A:N623003 4.7 27.2 1.0 O A:HOH3117 4.7 25.4 1.0 CZ A:ARG144 4.7 34.9 1.0 CE1 A:HIS158 4.8 13.5 1.0 C A:ARG144 4.8 9.6 1.0 OG A:SER237 4.8 19.8 1.0 C5 A:N623003 4.9 31.9 1.0 CB A:ASN160 4.9 10.9 1.0 CA A:ARG144 5.0 11.6 1.0

Fluorine binding site 3 out of 3 in the Human Galectin-3C in Complex with A Galactose Derivative


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human Galectin-3C in Complex with A Galactose Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:F3003 b:27.1 occ:1.00 F1 A:N623003 0.0 27.1 1.0 C25 A:N623003 1.3 19.6 1.0 C24 A:N623003 2.3 22.5 1.0 C26 A:N623003 2.3 19.2 1.0 F2 A:N623003 2.7 23.4 1.0 CA A:GLY238 3.0 11.5 1.0 CG A:ARG144 3.2 19.6 1.0 N A:GLY238 3.4 12.1 1.0 C23 A:N623003 3.5 24.0 1.0 CD A:ARG144 3.6 30.0 1.0 C17 A:N623003 3.6 17.5 1.0 C A:SER237 3.6 13.4 1.0 NE A:ARG144 3.7 50.2 1.0 N A:ALA146 3.7 11.2 1.0 O A:ARG144 3.7 12.0 1.0 O A:SER237 3.7 11.1 1.0 C A:ILE145 3.7 9.7 1.0 CA A:ILE145 3.8 10.2 1.0 C A:ARG144 3.8 9.6 1.0 OG A:SER237 3.8 19.8 1.0 N A:ILE145 3.9 10.7 1.0 CB A:ARG144 4.0 14.7 1.0 C14 A:N623003 4.1 23.1 1.0 CB A:ALA146 4.1 13.0 1.0 O A:ILE145 4.3 9.1 1.0 CB A:SER237 4.4 18.0 1.0 C A:GLY238 4.4 10.8 1.0 CZ A:ARG144 4.4 34.9 1.0 CA A:ALA146 4.5 11.2 1.0 CA A:ARG144 4.6 11.6 1.0 CA A:SER237 4.6 11.4 1.0 C6 A:N623003 4.7 23.7 1.0 N A:ASP239 4.7 11.0 1.0

A.Dahlqvist, S.Mandal, K.Peterson, M.Hakansson, D.T.Logan, F.Zetterberg, H.Leffler, U.J.Nilsson. Human Galectin-3C in Complex with A Galactose Derivative To Be Published.