Fluorine in PDB 6tf7: Human Galectin-3C in Complex with A Galactose Derivative

The structure of Human Galectin-3C in Complex with A Galactose Derivative, PDB code: 6tf7 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)	29.08 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.140, 58.160, 62.840, 90.00, 90.00, 90.00
R / Rfree (%)	13.5 / 18.7

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

Chlorine

(Cl)

3 atoms

The binding sites of Fluorine atom in the Human Galectin-3C in Complex with A Galactose Derivative (pdb code 6tf7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Human Galectin-3C in Complex with A Galactose Derivative, PDB code: 6tf7:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 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:F1005 b:14.4 occ:1.00 F4 A:N6B1005 0.0 14.4 1.0 C25 A:N6B1005 1.4 11.0 1.0 C24 A:N6B1005 2.3 13.3 1.0 C26 A:N6B1005 2.4 11.2 1.0 F2 A:N6B1005 2.7 17.5 1.0 C A:ILE145 3.1 7.9 1.0 CG A:ARG144 3.3 13.7 1.0 O A:ILE145 3.3 8.2 1.0 N A:ALA146 3.3 9.4 1.0 N A:ILE145 3.4 8.4 1.0 CB A:ARG144 3.4 13.1 1.0 CA A:ILE145 3.5 9.1 1.0 CB A:ALA146 3.5 8.8 1.0 CD A:ARG144 3.5 16.2 1.0 C23 A:N6B1005 3.6 15.9 1.0 ND2 A:ASN160 3.6 11.2 1.0 C A:ARG144 3.6 10.2 1.0 C21 A:N6B1005 3.6 12.8 1.0 CA A:ALA146 4.0 8.3 1.0 NE A:ARG144 4.0 18.8 1.0 C22 A:N6B1005 4.1 15.6 1.0 O A:ARG144 4.1 11.8 1.0 CA A:ARG144 4.1 12.3 1.0 O A:SER237 4.4 9.4 1.0 CA A:GLY238 4.5 11.7 1.0 OG A:SER237 4.5 13.9 1.0 S A:SCN1001 4.6 21.0 1.0 F3 A:N6B1005 4.7 20.1 1.0 CZ A:ARG144 4.7 26.1 1.0 CG A:ASN160 4.8 10.7 1.0 C A:SER237 4.8 10.9 1.0 C3 A:N6B1005 4.8 13.0 1.0 N A:GLY238 4.9 10.7 1.0 C A:SCN1001 4.9 32.9 1.0

Fluorine binding site 2 out of 4 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:F1005 b:17.5 occ:1.00 F2 A:N6B1005 0.0 17.5 1.0 C24 A:N6B1005 1.4 13.3 1.0 C23 A:N6B1005 2.4 15.9 1.0 C25 A:N6B1005 2.4 11.0 1.0 F3 A:N6B1005 2.7 20.1 1.0 F4 A:N6B1005 2.7 14.4 1.0 N A:GLY238 3.0 10.7 1.0 CA A:GLY238 3.0 11.7 1.0 OG A:SER237 3.2 13.9 1.0 C A:SER237 3.4 10.9 1.0 NE A:ARG144 3.5 18.8 1.0 CB A:SER237 3.5 12.9 1.0 C22 A:N6B1005 3.6 15.6 1.0 C26 A:N6B1005 3.7 11.2 1.0 O A:SER237 3.8 9.4 1.0 CZ A:ARG144 3.8 26.1 1.0 NH2 A:ARG144 3.9 24.8 1.0 CG A:ARG144 4.0 13.7 1.0 CD A:ARG144 4.1 16.2 1.0 CA A:SER237 4.1 9.5 1.0 C21 A:N6B1005 4.2 12.8 1.0 O A:HOH1132 4.2 33.5 1.0 CL A:CL1002 4.2 28.4 1.0 C A:GLY238 4.5 8.9 1.0 N A:ALA146 4.5 9.4 1.0 O A:HOH1198 4.6 26.2 1.0 NH1 A:ARG144 4.6 25.3 1.0 CB A:ALA146 4.7 8.8 1.0 O A:ARG144 4.8 11.8 1.0 C A:ILE145 4.9 7.9 1.0 CA A:ILE145 4.9 9.1 1.0 O A:HOH1267 4.9 38.7 1.0 C A:ARG144 5.0 10.2 1.0

Fluorine binding site 3 out of 4 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:F1005 b:20.1 occ:1.00 F3 A:N6B1005 0.0 20.1 1.0 C23 A:N6B1005 1.4 15.9 1.0 C24 A:N6B1005 2.3 13.3 1.0 C22 A:N6B1005 2.4 15.6 1.0 F2 A:N6B1005 2.7 17.5 1.0 O A:HOH1198 3.1 26.2 1.0 O A:HOH1267 3.3 38.7 1.0 NH2 A:ARG144 3.3 24.8 1.0 C25 A:N6B1005 3.6 11.0 1.0 OG A:SER237 3.7 13.9 1.0 C21 A:N6B1005 3.7 12.8 1.0 CZ A:ARG144 3.7 26.1 1.0 CB A:SER237 3.9 12.9 1.0 NH1 A:ARG144 4.1 25.3 1.0 C26 A:N6B1005 4.2 11.2 1.0 NE A:ARG144 4.3 18.8 1.0 CL A:CL1002 4.4 28.4 1.0 F4 A:N6B1005 4.7 14.4 1.0 N A:GLY238 4.9 10.7 1.0 C3 A:N6B1005 4.9 13.0 1.0

Fluorine binding site 4 out of 4 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 4 of Human Galectin-3C in Complex with A Galactose Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:F1005 b:39.8 occ:1.00 F1 A:N6B1005 0.0 39.8 1.0 C7 A:N6B1005 1.4 33.5 1.0 C5 A:N6B1005 2.4 33.8 1.0 C8 A:N6B1005 2.5 30.4 1.0 C15 A:N6B1005 2.8 24.8 1.0 CG A:GLU165 3.6 13.3 1.0 C4 A:N6B1005 3.7 34.4 1.0 C9 A:N6B1005 3.7 29.5 1.0 OD1 A:ASN166 4.0 34.2 1.0 O A:HOH1182 4.0 34.3 1.0 C16 A:N6B1005 4.2 24.4 1.0 C2 A:N6B1005 4.2 23.6 1.0 ND2 A:ASN166 4.3 27.1 1.0 OE2 A:GLU165 4.4 19.4 1.0 CD A:GLU165 4.4 14.4 1.0 CG A:ASN166 4.4 24.8 1.0 CA A:GLU165 4.6 11.9 1.0 CB A:GLU165 4.6 12.6 1.0 N A:ASN166 4.7 15.3 1.0 C19 A:N6B1005 4.9 29.0 1.0 C A:GLU165 4.9 13.3 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.