Fluorine in PDB 7cxc: Structure of Mouse Galectin-3 Crd Point Mutant (V160A) in Complex with Td-139 Belonging to P121 Space Group.

The structure of Structure of Mouse Galectin-3 Crd Point Mutant (V160A) in Complex with Td-139 Belonging to P121 Space Group., PDB code: 7cxc was solved by A.Kumar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.74 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	35.513, 58.286, 68.085, 90, 103.56, 90
R / Rfree (%)	14.4 / 17.8

The binding sites of Fluorine atom in the Structure of Mouse Galectin-3 Crd Point Mutant (V160A) in Complex with Td-139 Belonging to P121 Space Group. (pdb code 7cxc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Structure of Mouse Galectin-3 Crd Point Mutant (V160A) in Complex with Td-139 Belonging to P121 Space Group., PDB code: 7cxc:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in the Structure of Mouse Galectin-3 Crd Point Mutant (V160A) in Complex with Td-139 Belonging to P121 Space Group.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Mouse Galectin-3 Crd Point Mutant (V160A) in Complex with Td-139 Belonging to P121 Space Group. within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:16.4 occ:0.50 F18 A:TD2301 0.0 16.4 0.5 H25 A:TD2301 0.4 13.0 0.5 C14 A:TD2301 1.4 14.1 0.5 C16 A:TD2301 1.4 13.7 0.5 C15 A:TD2301 2.3 12.7 0.5 C17 A:TD2301 2.3 10.8 0.5 C13 A:TD2301 2.4 10.1 0.5 C15 A:TD2301 2.4 13.0 0.5 HD22 A:ASN180 2.5 12.1 1.0 H26 A:TD2301 2.5 11.5 0.5 H24 A:TD2301 2.6 13.0 0.5 O A:HOH490 2.6 26.5 1.0 H8 A:TD2301 2.6 10.5 0.5 H24 A:TD2301 2.7 13.3 0.5 O A:HOH425 2.9 16.3 1.0 HD21 A:ASN180 3.0 11.9 1.0 ND2 A:ASN180 3.0 12.3 1.0 HG2 A:GLU179 3.0 10.3 1.0 OE1 A:GLU179 3.1 10.6 1.0 CD A:GLU179 3.3 11.1 1.0 C16 A:TD2301 3.6 12.5 0.5 C12 A:TD2301 3.6 11.3 0.5 C12 A:TD2301 3.6 11.8 0.5 C14 A:TD2301 3.7 13.9 0.5 CG A:GLU179 3.7 10.0 1.0 HH12 A:ARG200 3.8 9.8 1.0 HB2 A:ASN180 4.0 12.4 1.0 OE2 A:GLU179 4.0 9.7 1.0 CG A:ASN180 4.1 10.7 1.0 C17 A:TD2301 4.1 11.4 0.5 C13 A:TD2301 4.2 12.2 0.5 HG3 A:GLU179 4.3 10.1 1.0 NH1 A:ARG200 4.3 10.4 1.0 H25 A:TD2301 4.4 12.4 0.5 HB3 A:GLU179 4.5 11.2 1.0 O A:GLU179 4.5 11.0 1.0 CB A:ASN180 4.6 12.5 1.0 HH22 A:ARG200 4.6 8.2 1.0 O A:HOH515 4.6 18.7 1.0 CB A:GLU179 4.7 11.4 1.0 HH11 A:ARG200 4.7 9.8 1.0 C9 A:TD2301 4.7 9.3 0.5 C9 A:TD2301 4.8 9.0 0.5 F18 A:TD2301 4.8 17.4 0.5 C A:GLU179 4.8 11.1 1.0 H22 A:TD2301 4.8 9.2 0.5 H22 A:TD2301 4.9 8.7 0.5 CZ A:ARG200 5.0 8.3 1.0 OD1 A:ASN180 5.0 14.9 1.0

Fluorine binding site 2 out of 8 in the Structure of Mouse Galectin-3 Crd Point Mutant (V160A) in Complex with Td-139 Belonging to P121 Space Group.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Mouse Galectin-3 Crd Point Mutant (V160A) in Complex with Td-139 Belonging to P121 Space Group. within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:17.4 occ:0.50 F18 A:TD2301 0.0 17.4 0.5 H25 A:TD2301 0.4 12.4 0.5 C14 A:TD2301 1.4 13.9 0.5 C16 A:TD2301 1.4 12.5 0.5 C17 A:TD2301 2.3 11.4 0.5 C13 A:TD2301 2.3 12.2 0.5 C15 A:TD2301 2.4 13.0 0.5 C15 A:TD2301 2.4 12.7 0.5 H26 A:TD2301 2.5 11.5 0.5 H8 A:TD2301 2.6 12.2 0.5 H24 A:TD2301 2.6 13.3 0.5 H24 A:TD2301 2.7 13.0 0.5 HD3 A:ARG200 3.2 10.8 1.0 O A:HOH494 3.3 12.2 1.0 C16 A:TD2301 3.5 13.7 0.5 C12 A:TD2301 3.6 11.8 0.5 C12 A:TD2301 3.6 11.3 0.5 C14 A:TD2301 3.6 14.1 0.5 HH11 A:ARG200 3.8 9.8 1.0 CD A:ARG200 4.0 11.0 1.0 HD2 A:ARG200 4.0 10.8 1.0 C17 A:TD2301 4.1 10.8 0.5 NH1 A:ARG200 4.2 10.4 1.0 C13 A:TD2301 4.2 10.1 0.5 NE A:ARG200 4.3 10.1 1.0 H25 A:TD2301 4.4 13.0 0.5 CZ A:ARG200 4.5 8.3 1.0 HH12 A:ARG200 4.6 9.8 1.0 F18 A:TD2301 4.8 16.4 0.5 C9 A:TD2301 4.8 9.0 0.5 C9 A:TD2301 4.8 9.3 0.5 HE A:ARG200 4.9 9.4 1.0

Fluorine binding site 3 out of 8 in the Structure of Mouse Galectin-3 Crd Point Mutant (V160A) in Complex with Td-139 Belonging to P121 Space Group.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Mouse Galectin-3 Crd Point Mutant (V160A) in Complex with Td-139 Belonging to P121 Space Group. within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:11.2 occ:0.50 F28 A:TD2301 0.0 11.2 0.5 F28 A:TD2301 0.0 12.2 0.5 C26 A:TD2301 1.3 10.5 0.5 C26 A:TD2301 1.4 10.6 0.5 C27 A:TD2301 2.3 9.0 0.5 C25 A:TD2301 2.4 12.4 0.5 C25 A:TD2301 2.4 12.5 0.5 C27 A:TD2301 2.4 8.7 0.5 H30 A:TD2301 2.6 9.5 0.5 HG3 A:ARG158 2.6 11.6 1.0 H30 A:TD2301 2.6 9.2 0.5 H29 A:TD2301 2.6 12.3 0.5 H29 A:TD2301 2.6 12.4 0.5 HB2 A:ARG158 2.8 9.7 1.0 HB2 A:ALA160 2.8 8.5 1.0 HD3 A:ARG158 2.9 13.5 1.0 HD22 A:ASN174 3.1 7.3 1.0 CG A:ARG158 3.2 11.4 1.0 C A:ILE159 3.2 7.2 1.0 HB3 A:ALA160 3.4 8.6 1.0 N A:ALA160 3.4 8.0 1.0 CB A:ARG158 3.4 9.9 1.0 O A:ILE159 3.4 7.1 1.0 CD A:ARG158 3.5 12.8 1.0 CB A:ALA160 3.5 8.7 1.0 N A:ILE159 3.5 7.6 1.0 HD21 A:ASN174 3.5 7.3 1.0 HA A:ILE159 3.6 7.7 1.0 ND2 A:ASN174 3.6 7.6 1.0 C24 A:TD2301 3.6 14.9 0.5 C24 A:TD2301 3.6 14.5 0.5 C22 A:TD2301 3.6 10.7 0.5 C22 A:TD2301 3.6 9.7 0.5 CA A:ILE159 3.6 7.5 1.0 H A:ALA160 3.7 7.7 1.0 HA3 A:GLY252 3.7 11.3 1.0 C A:ARG158 3.7 10.4 1.0 H A:ILE159 3.7 7.9 1.0 HD2 A:ARG158 3.8 13.9 1.0 CA A:ALA160 4.0 7.7 1.0 HA2 A:GLY252 4.0 11.4 1.0 HG2 A:ARG158 4.1 11.2 1.0 C23 A:TD2301 4.1 14.1 0.5 C23 A:TD2301 4.1 13.3 0.5 O A:ARG158 4.1 10.4 1.0 CA A:ARG158 4.2 8.1 1.0 HB3 A:ARG158 4.2 9.7 1.0 CA A:GLY252 4.3 11.5 1.0 HB1 A:ALA160 4.3 8.4 1.0 O A:HOH488 4.4 16.3 1.0 HB2 A:SER251 4.4 12.3 1.0 HA A:ALA160 4.4 8.0 1.0 O A:SER251 4.5 9.0 1.0 H28 A:TD2301 4.5 13.7 0.5 H28 A:TD2301 4.5 13.3 0.5 HA A:ARG158 4.7 8.5 1.0 N A:GLY252 4.7 10.5 1.0 CG A:ASN174 4.7 6.3 1.0 NE A:ARG158 4.7 21.1 1.0 C A:SER251 4.7 8.9 1.0 HE A:ARG158 4.8 19.4 1.0 C10 A:TD2301 4.8 11.0 0.5 C10 A:TD2301 4.8 9.4 0.5 H23 A:TD2301 5.0 7.8 0.5 H23 A:TD2301 5.0 8.1 0.5

Fluorine binding site 4 out of 8 in the Structure of Mouse Galectin-3 Crd Point Mutant (V160A) in Complex with Td-139 Belonging to P121 Space Group.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Mouse Galectin-3 Crd Point Mutant (V160A) in Complex with Td-139 Belonging to P121 Space Group. within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:12.2 occ:0.50 F28 A:TD2301 0.0 12.2 0.5 F28 A:TD2301 0.0 11.2 0.5 C26 A:TD2301 1.3 10.5 0.5 C26 A:TD2301 1.3 10.6 0.5 C27 A:TD2301 2.3 9.0 0.5 C27 A:TD2301 2.3 8.7 0.5 C25 A:TD2301 2.4 12.4 0.5 C25 A:TD2301 2.4 12.5 0.5 H30 A:TD2301 2.5 9.5 0.5 H30 A:TD2301 2.5 9.2 0.5 HG3 A:ARG158 2.6 11.6 1.0 H29 A:TD2301 2.6 12.3 0.5 H29 A:TD2301 2.7 12.4 0.5 HB2 A:ARG158 2.8 9.7 1.0 HB2 A:ALA160 2.8 8.5 1.0 HD3 A:ARG158 2.9 13.5 1.0 HD22 A:ASN174 3.1 7.3 1.0 CG A:ARG158 3.2 11.4 1.0 C A:ILE159 3.2 7.2 1.0 HB3 A:ALA160 3.4 8.6 1.0 N A:ALA160 3.4 8.0 1.0 CB A:ARG158 3.4 9.9 1.0 O A:ILE159 3.4 7.1 1.0 CB A:ALA160 3.5 8.7 1.0 CD A:ARG158 3.5 12.8 1.0 N A:ILE159 3.5 7.6 1.0 HD21 A:ASN174 3.5 7.3 1.0 HA A:ILE159 3.6 7.7 1.0 ND2 A:ASN174 3.6 7.6 1.0 C22 A:TD2301 3.6 10.7 0.5 C22 A:TD2301 3.6 9.7 0.5 C24 A:TD2301 3.6 14.9 0.5 C24 A:TD2301 3.6 14.5 0.5 H A:ALA160 3.7 7.7 1.0 CA A:ILE159 3.7 7.5 1.0 HA3 A:GLY252 3.7 11.3 1.0 H A:ILE159 3.7 7.9 1.0 C A:ARG158 3.7 10.4 1.0 HD2 A:ARG158 3.8 13.9 1.0 CA A:ALA160 4.0 7.7 1.0 HA2 A:GLY252 4.1 11.4 1.0 HG2 A:ARG158 4.1 11.2 1.0 C23 A:TD2301 4.1 14.1 0.5 C23 A:TD2301 4.1 13.3 0.5 O A:ARG158 4.1 10.4 1.0 CA A:ARG158 4.2 8.1 1.0 HB3 A:ARG158 4.2 9.7 1.0 HB1 A:ALA160 4.3 8.4 1.0 CA A:GLY252 4.3 11.5 1.0 O A:HOH488 4.3 16.3 1.0 HB2 A:SER251 4.4 12.3 1.0 HA A:ALA160 4.4 8.0 1.0 O A:SER251 4.5 9.0 1.0 H28 A:TD2301 4.5 13.7 0.5 H28 A:TD2301 4.5 13.3 0.5 HA A:ARG158 4.7 8.5 1.0 CG A:ASN174 4.7 6.3 1.0 NE A:ARG158 4.7 21.1 1.0 N A:GLY252 4.7 10.5 1.0 C A:SER251 4.8 8.9 1.0 HE A:ARG158 4.8 19.4 1.0 C10 A:TD2301 4.8 11.0 0.5 C10 A:TD2301 4.8 9.4 0.5 H23 A:TD2301 4.9 7.8 0.5 H23 A:TD2301 4.9 8.1 0.5

Fluorine binding site 5 out of 8 in the Structure of Mouse Galectin-3 Crd Point Mutant (V160A) in Complex with Td-139 Belonging to P121 Space Group.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of Mouse Galectin-3 Crd Point Mutant (V160A) in Complex with Td-139 Belonging to P121 Space Group. within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:12.7 occ:0.50 F18 B:TD2301 0.0 12.7 0.5 H25 B:TD2301 0.1 9.2 0.5 C16 B:TD2301 1.2 9.2 0.5 C14 B:TD2301 1.3 10.4 0.5 C15 B:TD2301 2.1 9.7 0.5 C17 B:TD2301 2.2 7.8 0.5 C15 B:TD2301 2.3 11.5 0.5 C13 B:TD2301 2.3 9.4 0.5 H24 B:TD2301 2.4 9.2 0.5 HD22 B:ASN180 2.4 15.4 1.0 H26 B:TD2301 2.5 7.7 0.5 H8 B:TD2301 2.5 9.7 0.5 H24 B:TD2301 2.6 10.8 0.5 O B:HOH488 2.9 15.3 1.0 HD21 B:ASN180 2.9 15.6 1.0 HG2 B:GLU179 2.9 9.2 1.0 ND2 B:ASN180 2.9 16.4 1.0 O B:HOH423 3.0 12.2 1.0 OE1 B:GLU179 3.2 10.2 1.0 CD B:GLU179 3.4 9.7 1.0 C14 B:TD2301 3.4 9.6 0.5 C12 B:TD2301 3.5 6.3 0.5 C16 B:TD2301 3.5 11.3 0.5 C12 B:TD2301 3.6 9.4 0.5 CG B:GLU179 3.6 9.2 1.0 C13 B:TD2301 3.9 9.2 0.5 OE2 B:GLU179 4.0 9.6 1.0 HH12 B:ARG200 4.0 9.0 1.0 C17 B:TD2301 4.1 11.4 0.5 CG B:ASN180 4.1 14.4 1.0 HG3 B:GLU179 4.2 9.3 1.0 HB2 B:ASN180 4.2 12.8 1.0 H25 B:TD2301 4.4 11.1 0.5 HB3 B:GLU179 4.5 9.0 1.0 O B:GLU179 4.5 10.3 1.0 F18 B:TD2301 4.5 12.8 0.5 NH1 B:ARG200 4.6 9.2 1.0 CB B:GLU179 4.6 9.1 1.0 C9 B:TD2301 4.7 6.1 0.5 C9 B:TD2301 4.7 10.1 0.5 CB B:ASN180 4.7 12.3 1.0 HH22 B:ARG200 4.8 8.4 1.0 C B:GLU179 4.8 9.5 1.0 HD2 B:ARG182 4.9 24.0 1.0 HH11 B:ARG200 4.9 8.8 1.0 H22 B:TD2301 4.9 9.6 0.5 H22 B:TD2301 4.9 6.7 0.5

Fluorine binding site 6 out of 8 in the Structure of Mouse Galectin-3 Crd Point Mutant (V160A) in Complex with Td-139 Belonging to P121 Space Group.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of Mouse Galectin-3 Crd Point Mutant (V160A) in Complex with Td-139 Belonging to P121 Space Group. within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:12.8 occ:0.50 F18 B:TD2301 0.0 12.8 0.5 H25 B:TD2301 0.3 11.1 0.5 C16 B:TD2301 1.3 11.3 0.5 C14 B:TD2301 1.4 9.6 0.5 C15 B:TD2301 2.2 11.5 0.5 C13 B:TD2301 2.4 9.2 0.5 C17 B:TD2301 2.4 11.4 0.5 C15 B:TD2301 2.4 9.7 0.5 H24 B:TD2301 2.5 10.8 0.5 H8 B:TD2301 2.6 8.3 0.5 H24 B:TD2301 2.7 9.2 0.5 H26 B:TD2301 2.7 10.8 0.5 O B:HOH485 3.4 10.1 1.0 C14 B:TD2301 3.5 10.4 0.5 C16 B:TD2301 3.6 9.2 0.5 C12 B:TD2301 3.6 9.4 0.5 C12 B:TD2301 3.7 6.3 0.5 HH11 B:ARG200 3.9 8.8 1.0 HD3 B:ARG200 3.9 8.9 1.0 C13 B:TD2301 4.0 9.4 0.5 C17 B:TD2301 4.1 7.8 0.5 NH1 B:ARG200 4.2 9.2 1.0 HD2 B:ARG200 4.5 8.8 1.0 H25 B:TD2301 4.5 9.2 0.5 F18 B:TD2301 4.5 12.7 0.5 CD B:ARG200 4.6 9.0 1.0 HH12 B:ARG200 4.6 9.0 1.0 CZ B:ARG200 4.7 8.9 1.0 NE B:ARG200 4.8 8.7 1.0 C9 B:TD2301 4.9 10.1 0.5 C9 B:TD2301 4.9 6.1 0.5

Fluorine binding site 7 out of 8 in the Structure of Mouse Galectin-3 Crd Point Mutant (V160A) in Complex with Td-139 Belonging to P121 Space Group.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Structure of Mouse Galectin-3 Crd Point Mutant (V160A) in Complex with Td-139 Belonging to P121 Space Group. within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:11.5 occ:0.50 F28 B:TD2301 0.0 11.5 0.5 F28 B:TD2301 0.0 13.4 0.5 C26 B:TD2301 1.3 10.6 0.5 C26 B:TD2301 1.3 11.5 0.5 C25 B:TD2301 2.3 13.6 0.5 C25 B:TD2301 2.3 14.1 0.5 C27 B:TD2301 2.4 10.5 0.5 C27 B:TD2301 2.4 10.3 0.5 HG3 B:ARG158 2.6 11.7 1.0 H30 B:TD2301 2.6 10.9 0.5 H30 B:TD2301 2.6 10.6 0.5 H29 B:TD2301 2.6 12.6 0.5 H29 B:TD2301 2.6 13.2 0.5 HB2 B:ALA160 2.8 8.8 1.0 HB2 B:ARG158 2.8 9.5 1.0 HD3 B:ARG158 3.0 15.6 1.0 C B:ILE159 3.1 8.6 1.0 HD22 B:ASN174 3.1 7.5 1.0 CG B:ARG158 3.2 11.3 1.0 HB3 B:ALA160 3.3 9.0 1.0 N B:ALA160 3.3 7.5 1.0 O B:ILE159 3.4 7.8 1.0 CB B:ALA160 3.4 9.2 1.0 CB B:ARG158 3.4 9.6 1.0 N B:ILE159 3.5 8.9 1.0 HD21 B:ASN174 3.5 7.5 1.0 HA B:ILE159 3.5 8.4 1.0 CD B:ARG158 3.6 15.9 1.0 ND2 B:ASN174 3.6 7.8 1.0 C24 B:TD2301 3.6 16.7 0.5 C24 B:TD2301 3.6 17.1 0.5 CA B:ILE159 3.6 8.4 1.0 C22 B:TD2301 3.6 11.4 0.5 C22 B:TD2301 3.6 11.6 0.5 H B:ALA160 3.6 7.6 1.0 C B:ARG158 3.7 8.8 1.0 HA3 B:GLY252 3.7 10.6 1.0 H B:ILE159 3.8 8.8 1.0 HD2 B:ARG158 3.9 16.0 1.0 CA B:ALA160 3.9 7.5 1.0 HG2 B:ARG158 4.1 11.4 1.0 O B:ARG158 4.2 10.2 1.0 C23 B:TD2301 4.2 16.0 0.5 C23 B:TD2301 4.2 16.0 0.5 HB3 B:ARG158 4.2 9.3 1.0 CA B:ARG158 4.2 7.6 1.0 HA2 B:GLY252 4.2 10.4 1.0 HB1 B:ALA160 4.2 8.8 1.0 HA B:ALA160 4.2 7.7 1.0 HB2 B:SER251 4.3 12.2 0.5 O B:HOH492 4.4 17.7 1.0 CA B:GLY252 4.4 10.4 1.0 O B:SER251 4.4 9.2 0.5 H28 B:TD2301 4.5 15.5 0.5 O B:SER251 4.5 8.9 0.5 H28 B:TD2301 4.5 15.8 0.5 OG B:SER251 4.6 9.8 0.5 HA B:ARG158 4.6 8.0 1.0 CG B:ASN174 4.7 7.0 1.0 HG B:SER251 4.8 9.9 0.5 C B:SER251 4.8 9.8 0.5 C B:SER251 4.8 9.8 0.5 N B:GLY252 4.8 10.3 1.0 C10 B:TD2301 4.8 9.6 0.5 C10 B:TD2301 4.8 10.4 0.5 NE B:ARG158 4.9 21.9 1.0

Fluorine binding site 8 out of 8 in the Structure of Mouse Galectin-3 Crd Point Mutant (V160A) in Complex with Td-139 Belonging to P121 Space Group.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Structure of Mouse Galectin-3 Crd Point Mutant (V160A) in Complex with Td-139 Belonging to P121 Space Group. within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:13.4 occ:0.50 F28 B:TD2301 0.0 13.4 0.5 F28 B:TD2301 0.0 11.5 0.5 C26 B:TD2301 1.3 10.6 0.5 C26 B:TD2301 1.3 11.5 0.5 C25 B:TD2301 2.3 13.6 0.5 C25 B:TD2301 2.3 14.1 0.5 C27 B:TD2301 2.4 10.5 0.5 C27 B:TD2301 2.4 10.3 0.5 HG3 B:ARG158 2.5 11.7 1.0 H30 B:TD2301 2.6 10.9 0.5 H30 B:TD2301 2.6 10.6 0.5 H29 B:TD2301 2.6 12.6 0.5 H29 B:TD2301 2.6 13.2 0.5 HB2 B:ARG158 2.8 9.5 1.0 HB2 B:ALA160 2.8 8.8 1.0 HD3 B:ARG158 3.0 15.6 1.0 C B:ILE159 3.1 8.6 1.0 HD22 B:ASN174 3.1 7.5 1.0 CG B:ARG158 3.2 11.3 1.0 HB3 B:ALA160 3.3 9.0 1.0 N B:ALA160 3.4 7.5 1.0 O B:ILE159 3.4 7.8 1.0 CB B:ARG158 3.4 9.6 1.0 CB B:ALA160 3.4 9.2 1.0 N B:ILE159 3.5 8.9 1.0 CD B:ARG158 3.5 15.9 1.0 HA B:ILE159 3.5 8.4 1.0 HD21 B:ASN174 3.6 7.5 1.0 C24 B:TD2301 3.6 16.7 0.5 ND2 B:ASN174 3.6 7.8 1.0 C24 B:TD2301 3.6 17.1 0.5 CA B:ILE159 3.6 8.4 1.0 C22 B:TD2301 3.6 11.4 0.5 C22 B:TD2301 3.6 11.6 0.5 H B:ALA160 3.6 7.6 1.0 C B:ARG158 3.7 8.8 1.0 HA3 B:GLY252 3.7 10.6 1.0 H B:ILE159 3.8 8.8 1.0 HD2 B:ARG158 3.8 16.0 1.0 CA B:ALA160 3.9 7.5 1.0 HG2 B:ARG158 4.0 11.4 1.0 O B:ARG158 4.1 10.2 1.0 C23 B:TD2301 4.2 16.0 0.5 C23 B:TD2301 4.2 16.0 0.5 HB3 B:ARG158 4.2 9.3 1.0 CA B:ARG158 4.2 7.6 1.0 HA2 B:GLY252 4.2 10.4 1.0 HB1 B:ALA160 4.3 8.8 1.0 HA B:ALA160 4.3 7.7 1.0 HB2 B:SER251 4.3 12.2 0.5 O B:HOH492 4.4 17.7 1.0 CA B:GLY252 4.4 10.4 1.0 O B:SER251 4.4 9.2 0.5 H28 B:TD2301 4.5 15.5 0.5 H28 B:TD2301 4.5 15.8 0.5 O B:SER251 4.5 8.9 0.5 OG B:SER251 4.6 9.8 0.5 HA B:ARG158 4.6 8.0 1.0 CG B:ASN174 4.7 7.0 1.0 HG B:SER251 4.8 9.9 0.5 C B:SER251 4.8 9.8 0.5 C B:SER251 4.8 9.8 0.5 N B:GLY252 4.8 10.3 1.0 C10 B:TD2301 4.8 9.6 0.5 C10 B:TD2301 4.8 10.4 0.5 NE B:ARG158 4.9 21.9 1.0 HE B:ARG158 5.0 22.1 1.0

A.Kumar, M.Paul, M.Panda, S.Jayaram, N.Kalidindi, H.Sale, M.Vetrichelvan, A.Gupta, A.Mathur, B.Beno, A.Regueiro-Ren, D.Cheng, M.Ramarao, K.Ghosh. Molecular Mechanism of Interspecies Differences in the Binding Affinity of TD139 to Galectin-3. Glycobiology 2021.
ISSN: ESSN 1460-2423
PubMed: 34228782
DOI: 10.1093/GLYCOB/CWAB072