Chlorine in PDB 7cxb: Structure of Mouse Galectin-3 Crd in Complex with Td-139 Belonging to P6522 Space Group.

The structure of Structure of Mouse Galectin-3 Crd in Complex with Td-139 Belonging to P6522 Space Group., PDB code: 7cxb was solved by A.Kumar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.26 / 1.46
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	63.88, 63.88, 136.25, 90, 90, 120
R / Rfree (%)	19.4 / 22.5

The structure of Structure of Mouse Galectin-3 Crd in Complex with Td-139 Belonging to P6522 Space Group. also contains other interesting chemical elements:

Fluorine

(F)

4 atoms

The binding sites of Chlorine atom in the Structure of Mouse Galectin-3 Crd in Complex with Td-139 Belonging to P6522 Space Group. (pdb code 7cxb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Mouse Galectin-3 Crd in Complex with Td-139 Belonging to P6522 Space Group., PDB code: 7cxb:

Chlorine binding site 1 out of 1 in the Structure of Mouse Galectin-3 Crd in Complex with Td-139 Belonging to P6522 Space Group.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Mouse Galectin-3 Crd in Complex with Td-139 Belonging to P6522 Space Group. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:20.2 occ:0.70 HH11 A:ARG158 2.1 21.8 1.0 O A:HOH468 2.8 12.8 0.5 HD3 A:ARG176 2.9 15.6 1.0 HE A:ARG158 2.9 17.7 1.0 O A:HOH433 3.0 19.8 1.0 NH1 A:ARG158 3.1 21.8 1.0 O A:HOH528 3.2 23.4 1.0 NE A:ARG176 3.4 16.4 1.0 HG2 A:ARG176 3.5 16.5 1.0 CZ A:ARG176 3.5 15.9 1.0 CD A:ARG176 3.6 15.6 1.0 NH1 A:ARG176 3.6 16.0 1.0 HH11 A:ARG176 3.7 16.0 1.0 HH12 A:ARG158 3.7 21.8 1.0 NE A:ARG158 3.7 17.7 1.0 HE A:ARG176 3.9 16.4 1.0 CZ A:ARG158 3.9 18.9 1.0 H19 A:TD2301 3.9 15.2 0.5 H19 A:TD2301 4.0 15.4 0.5 CG A:ARG176 4.1 16.5 1.0 HH12 A:ARG176 4.1 16.0 1.0 NH2 A:ARG176 4.1 14.8 1.0 S1 A:TD2301 4.4 14.3 0.5 HH21 A:ARG176 4.5 14.8 1.0 HD2 A:ARG176 4.5 15.6 1.0 HB3 A:ARG176 4.6 16.7 1.0 HH22 A:ARG176 4.6 14.8 1.0 HG3 A:GLU179 4.7 19.8 1.0 S1 A:TD2301 4.7 14.0 0.5 C21 A:TD2301 4.7 15.2 0.5 OD1 A:ASN174 4.8 15.4 1.0 HG3 A:ARG176 4.9 16.5 1.0 HB3 A:ARG158 4.9 17.9 1.0 O2 A:TD2301 4.9 15.6 0.5 O A:HOH532 4.9 30.8 0.5 HD21 A:ASN174 4.9 15.5 1.0 C21 A:TD2301 4.9 15.4 0.5 H22 A:TD2301 4.9 17.6 0.5 H22 A:TD2301 5.0 17.4 0.5 CB A:ARG176 5.0 16.7 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