Chlorine in PDB 5jq1: Efficient Targeting of the Asialoglycoprotein Receptor By Polyvalent Display of A Compact Galactosamine Mimic

The structure of Efficient Targeting of the Asialoglycoprotein Receptor By Polyvalent Display of A Compact Galactosamine Mimic, PDB code: 5jq1 was solved by S.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.37 / 1.83
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.080, 59.490, 68.650, 90.00, 93.18, 90.00
R / Rfree (%)	18.7 / 22.2

The structure of Efficient Targeting of the Asialoglycoprotein Receptor By Polyvalent Display of A Compact Galactosamine Mimic also contains other interesting chemical elements:

Calcium

(Ca)

6 atoms

The binding sites of Chlorine atom in the Efficient Targeting of the Asialoglycoprotein Receptor By Polyvalent Display of A Compact Galactosamine Mimic (pdb code 5jq1). 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 Efficient Targeting of the Asialoglycoprotein Receptor By Polyvalent Display of A Compact Galactosamine Mimic, PDB code: 5jq1:

Chlorine binding site 1 out of 1 in the Efficient Targeting of the Asialoglycoprotein Receptor By Polyvalent Display of A Compact Galactosamine Mimic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Efficient Targeting of the Asialoglycoprotein Receptor By Polyvalent Display of A Compact Galactosamine Mimic within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1005 b:50.2 occ:1.00 O A:HOH1158 2.9 39.1 1.0 O B:HOH1173 3.1 33.6 1.0 NH1 A:ARG270 3.2 30.6 1.0 NH1 B:ARG270 3.5 24.3 1.0 CD A:ARG270 3.8 23.8 1.0 CD B:ARG270 3.9 24.0 1.0 CD B:PRO271 3.9 23.5 1.0 CD A:PRO271 4.0 25.5 1.0 CG A:ARG270 4.0 27.7 1.0 CG B:ARG270 4.0 24.3 1.0 CB A:ARG270 4.2 25.0 1.0 O B:HOH1114 4.2 27.2 1.0 O A:HOH1124 4.2 28.9 1.0 CB B:ARG270 4.3 25.8 1.0 CZ A:ARG270 4.3 34.4 1.0 NE A:ARG270 4.5 25.1 1.0 CZ B:ARG270 4.6 29.7 1.0 CA A:ARG270 4.6 23.5 1.0 CA B:ARG270 4.6 24.2 1.0 CG B:PRO271 4.6 28.7 1.0 NE B:ARG270 4.7 26.1 1.0 CG A:PRO271 4.8 29.9 1.0 N B:PRO271 4.9 22.3 1.0 N A:PRO271 4.9 23.1 1.0 O A:HOH1103 5.0 31.0 1.0

C.A.Sanhueza, M.M.Baksh, B.Thuma, M.D.Roy, S.Dutta, C.Preville, B.A.Chrunyk, K.Beaumont, R.Dullea, M.Ammirati, S.Liu, D.Gebhard, J.E.Finley, C.T.Salatto, A.King-Ahmad, I.Stock, K.Atkinson, B.Reidich, W.Lin, R.Kumar, M.Tu, E.Menhaji-Klotz, D.A.Price, S.Liras, M.G.Finn, V.Mascitti. Efficient Liver Targeting By Polyvalent Display of A Compact Ligand For the Asialoglycoprotein Receptor. J. Am. Chem. Soc. V. 139 3528 2017.
ISSN: ESSN 1520-5126
PubMed: 28230359
DOI: 10.1021/JACS.6B12964