Chlorine in PDB 4caj: Crystallographic Structure of the Mouse Sign-R1 Crd Domain in Complex with Sialic Acid

The structure of Crystallographic Structure of the Mouse Sign-R1 Crd Domain in Complex with Sialic Acid, PDB code: 4caj was solved by N.Silva-Martin, S.G.Bartual, J.A.Hermoso, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.948 / 2.19
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	146.200, 94.470, 76.140, 90.00, 121.42, 90.00
R / Rfree (%)	20.53 / 28.12

The structure of Crystallographic Structure of the Mouse Sign-R1 Crd Domain in Complex with Sialic Acid also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Chlorine atom in the Crystallographic Structure of the Mouse Sign-R1 Crd Domain in Complex with Sialic Acid (pdb code 4caj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystallographic Structure of the Mouse Sign-R1 Crd Domain in Complex with Sialic Acid, PDB code: 4caj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystallographic Structure of the Mouse Sign-R1 Crd Domain in Complex with Sialic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystallographic Structure of the Mouse Sign-R1 Crd Domain in Complex with Sialic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1328 b:54.8 occ:1.00 N A:TRP197 3.2 37.3 1.0 NH1 A:ARG193 3.4 0.8 1.0 CA C:PRO196 3.5 32.8 1.0 CZ A:ARG193 3.5 0.7 1.0 N C:TRP197 3.6 32.8 1.0 CA A:PRO196 3.7 45.0 1.0 CB C:PRO196 3.8 35.3 1.0 NE A:ARG193 3.9 1.0 1.0 CB A:TRP197 3.9 37.6 1.0 NH2 A:ARG193 3.9 0.4 1.0 C A:PRO196 3.9 37.0 1.0 C C:PRO196 4.1 46.0 1.0 NE C:ARG193 4.1 0.0 1.0 CA A:TRP197 4.2 37.2 1.0 CB A:PRO196 4.2 38.9 1.0 CD A:ARG193 4.3 0.2 1.0 NH2 C:ARG193 4.5 0.9 1.0 CB C:TRP197 4.5 44.5 1.0 O A:HOH2006 4.6 38.3 1.0 CA C:TRP197 4.7 32.9 1.0 N C:PRO196 4.7 33.0 1.0 CZ C:ARG193 4.7 0.7 1.0 CG C:PRO196 4.7 39.4 1.0 N A:PRO196 4.9 37.3 1.0 O C:CYS195 4.9 34.9 1.0

Chlorine binding site 2 out of 2 in the Crystallographic Structure of the Mouse Sign-R1 Crd Domain in Complex with Sialic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystallographic Structure of the Mouse Sign-R1 Crd Domain in Complex with Sialic Acid within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1329 b:75.9 occ:1.00 N C:ASN288 3.6 60.7 1.0 CA C:ASN288 3.9 51.1 1.0 N C:ILE289 4.0 46.1 1.0 C C:ASN288 4.4 63.8 1.0 C C:ASN287 4.5 50.7 1.0 CA C:ASN287 4.9 46.6 1.0 CG1 C:ILE289 5.0 53.0 1.0

N.Silva-Martin, S.G.Bartual, A.Rodriguez, E.Ramirez, P.Chacon, R.M.Anthony, C.G.Park, J.A.Hermoso. Structural Basis For Selective Recognition of Endogenous and Microbial Polysaccharides By Macrophage Receptor Sign-R1 Structure 2014.
ISSN: ESSN 1878-4186
DOI: 10.1016/J.STR.2014.09.001