Chlorine 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:

Fluorine

(F)

4 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Human Galectin-3C in Complex with A Galactose Derivative, PDB code: 6tf7:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1002 b:28.4 occ:1.00 O A:HOH1267 3.0 38.7 1.0 N A:GLY238 3.2 10.7 1.0 CB A:SER237 3.7 12.9 1.0 CD A:PRO117 3.8 16.8 1.0 CG1 A:VAL116 3.9 16.6 1.0 CA A:GLY238 3.9 11.7 1.0 CA A:SER237 3.9 9.5 1.0 C A:SER237 4.1 10.9 1.0 CG A:PRO117 4.1 21.8 1.0 N A:PRO117 4.1 12.9 1.0 F2 A:N6B1005 4.2 17.5 1.0 O A:GLY238 4.3 10.0 1.0 O A:HOH1141 4.3 29.1 1.0 CB A:PRO117 4.4 15.7 1.0 F3 A:N6B1005 4.4 20.1 1.0 C A:VAL116 4.5 11.7 1.0 CA A:PRO117 4.6 11.9 1.0 C A:GLY238 4.6 8.9 1.0 O A:VAL116 4.6 14.8 1.0 OG A:SER237 4.8 13.9 1.0 CB A:VAL116 5.0 14.3 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1003 b:25.6 occ:1.00 O A:HOH1252 3.2 14.1 1.0 O A:HOH1210 3.3 29.7 1.0 N A:LYS226 3.3 8.7 1.0 N A:LYS227 3.5 9.2 1.0 CG A:LYS227 3.7 12.3 1.0 CG1 A:VAL225 3.9 10.1 1.0 CD A:LYS227 3.9 15.1 1.0 CB A:LYS227 4.0 10.5 1.0 CB A:LYS226 4.0 9.7 0.5 CA A:LYS226 4.1 9.6 1.0 CA A:VAL225 4.1 9.6 1.0 C A:VAL225 4.1 9.2 1.0 NH1 A:ARG151 4.2 12.0 1.0 C A:LYS226 4.2 9.0 1.0 CE A:LYS227 4.4 16.4 0.5 CA A:LYS227 4.4 9.4 1.0 CG A:LYS226 4.4 11.2 0.5 CZ A:ARG151 4.4 9.9 1.0 CB A:LYS226 4.5 11.3 0.5 CE A:LYS227 4.5 25.5 0.5 CB A:VAL225 4.5 8.8 1.0 O A:HOH1175 4.6 17.2 1.0 NE A:ARG151 4.7 8.3 1.0 O A:HOH1139 4.7 10.6 1.0 CD A:ARG151 4.9 9.5 1.0 NH2 A:ARG151 5.0 11.3 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1004 b:30.3 occ:1.00 O A:HOH1242 2.8 34.3 1.0 N A:LEU228 3.3 8.2 1.0 N A:ASN229 3.4 9.8 1.0 O A:HOH1140 3.4 20.5 1.0 CB A:LEU228 3.8 15.4 1.0 CG A:ASN229 3.8 14.0 1.0 OD1 A:ASN229 3.8 14.8 1.0 CA A:LEU228 3.9 10.2 1.0 CB A:ASN229 4.0 12.5 1.0 O A:LYS226 4.0 9.0 1.0 C A:LYS227 4.0 8.1 1.0 C A:LEU228 4.1 8.3 1.0 ND2 A:ASN229 4.2 18.2 1.0 CA A:ASN229 4.3 10.1 1.0 CA A:LYS227 4.3 9.4 1.0 CG A:LEU228 4.4 10.6 1.0 O A:LYS227 5.0 8.1 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.