Chlorine in PDB 6usc: Structure of Human Intelectin-1 in Complex with Ko

The structure of Structure of Human Intelectin-1 in Complex with Ko, PDB code: 6usc was solved by I.W.Windsor, C.R.Isabella, P.Kosma, R.T.Raines, L.L.Kiessling, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.23 / 1.59
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	118.145, 118.145, 118.145, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 18.2

The structure of Structure of Human Intelectin-1 in Complex with Ko also contains other interesting chemical elements:

Calcium

(Ca)

6 atoms

The binding sites of Chlorine atom in the Structure of Human Intelectin-1 in Complex with Ko (pdb code 6usc). 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 Human Intelectin-1 in Complex with Ko, PDB code: 6usc:

Chlorine binding site 1 out of 1 in the Structure of Human Intelectin-1 in Complex with Ko


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human Intelectin-1 in Complex with Ko within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:38.9 occ:1.00 O A:HOH596 3.2 29.6 1.0 N A:PHE57 3.2 21.6 1.0 O A:HOH549 3.3 27.9 1.0 CA A:TYR56 3.7 24.2 1.0 CD2 A:PHE57 3.8 28.8 1.0 C A:TYR56 3.9 24.1 1.0 CB A:PHE57 4.1 25.7 1.0 CB A:TYR56 4.2 24.0 1.0 CA A:PHE57 4.2 19.4 1.0 CD2 A:TYR56 4.2 30.1 1.0 O A:LEU55 4.4 29.1 1.0 CG A:PHE57 4.4 23.2 1.0 CG A:TYR56 4.6 30.8 1.0 O A:PHE57 4.8 22.7 1.0 N A:TYR56 4.8 24.2 1.0 CE2 A:PHE57 4.8 34.0 1.0

C.M.Mcmahon, C.R.Isabella, I.W.Windsor, P.Kosma, R.T.Raines, L.L.Kiessling. Stereoelectronic Effects Impact Glycan Recognition. J.Am.Chem.Soc. 2020.
ISSN: ESSN 1520-5126
PubMed: 31930911
DOI: 10.1021/JACS.9B11699