Chlorine in PDB 5fbh: Crystal Structure of the Extracellular Domain of Human Calcium Sensing Receptor with Bound GD3+

The structure of Crystal Structure of the Extracellular Domain of Human Calcium Sensing Receptor with Bound GD3+, PDB code: 5fbh was solved by T.Zhang, C.Zhang, C.L.Miller, J.Zou, K.W.Moremen, E.M.Brown, J.J.Yang, J.Hu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.08 / 2.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	172.107, 83.106, 94.470, 90.00, 105.15, 90.00
R / Rfree (%)	18.2 / 23.6

The structure of Crystal Structure of the Extracellular Domain of Human Calcium Sensing Receptor with Bound GD3+ also contains other interesting chemical elements:

Magnesium	(Mg)	3 atoms
Gadolinium	(Gd)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Extracellular Domain of Human Calcium Sensing Receptor with Bound GD3+ (pdb code 5fbh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Extracellular Domain of Human Calcium Sensing Receptor with Bound GD3+, PDB code: 5fbh:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Extracellular Domain of Human Calcium Sensing Receptor with Bound GD3+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Extracellular Domain of Human Calcium Sensing Receptor with Bound GD3+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl605 b:71.2 occ:1.00 OG1 B:THR100 2.8 43.9 1.0 N B:THR145 3.2 42.8 1.0 OG1 B:THR145 3.3 38.8 1.0 CG2 B:THR100 3.4 48.4 1.0 CB B:THR145 3.5 37.5 1.0 CB B:THR100 3.6 47.5 1.0 CD B:PRO39 3.6 44.9 1.0 N B:PRO39 3.6 46.4 1.0 CG B:PRO39 3.8 42.7 1.0 CB B:PRO39 3.8 44.5 1.0 C B:PHE38 3.9 44.8 1.0 CB B:ALA144 3.9 42.2 1.0 CA B:THR145 3.9 39.0 1.0 CA B:PRO39 4.1 44.0 1.0 CA B:PHE38 4.2 44.6 1.0 C B:ALA144 4.2 45.1 1.0 OH B:TYR167 4.3 51.0 1.0 CA B:ALA144 4.3 43.3 1.0 O B:PHE38 4.4 40.6 1.0 N B:PHE38 4.5 44.7 1.0 N B:GLY146 4.5 41.6 1.0 O B:LEU37 4.5 39.0 1.0 C B:LEU37 4.6 42.7 1.0 CG1 B:VAL149 4.6 43.2 1.0 OD1 B:ASN102 4.7 57.8 1.0 C B:THR145 4.8 43.3 1.0 CG2 B:THR145 4.8 38.3 1.0 N B:ASN102 4.9 46.9 1.0 CA B:THR100 4.9 47.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Extracellular Domain of Human Calcium Sensing Receptor with Bound GD3+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Extracellular Domain of Human Calcium Sensing Receptor with Bound GD3+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:66.0 occ:1.00 OG1 A:THR100 2.7 54.6 1.0 N A:THR145 3.2 49.2 1.0 CG2 A:THR100 3.3 53.6 1.0 CB A:THR100 3.5 55.8 1.0 CB A:ALA144 3.6 46.5 1.0 CB A:THR145 3.6 53.0 1.0 OG1 A:THR145 3.6 60.9 1.0 N A:PRO39 3.6 54.0 1.0 CD A:PRO39 3.7 56.9 1.0 C A:PHE38 3.7 50.7 1.0 CA A:PHE38 3.9 49.3 1.0 N A:PHE38 4.0 47.4 1.0 CA A:THR145 4.0 54.2 1.0 CG A:PRO39 4.0 60.4 1.0 CB A:PRO39 4.0 60.4 1.0 CA A:ALA144 4.1 47.5 1.0 OH A:TYR167 4.1 45.7 1.0 C A:ALA144 4.1 49.9 1.0 C A:LEU37 4.3 46.1 1.0 CA A:PRO39 4.3 59.2 1.0 O A:PHE38 4.3 45.5 1.0 O A:LEU37 4.4 43.2 1.0 N A:GLY146 4.7 53.2 1.0 CB A:LEU37 4.7 48.2 1.0 CG1 A:VAL149 4.7 46.0 1.0 CA A:THR100 4.8 59.9 1.0 OD1 A:ASN102 4.9 55.5 1.0 C A:THR145 4.9 53.1 1.0 N A:THR100 5.0 59.9 1.0 CG2 A:THR145 5.0 52.6 1.0

C.Zhang, T.Zhang, J.Zou, C.L.Miller, R.Gorkhali, J.Y.Yang, A.Schilmiller, S.Wang, K.Huang, E.M.Brown, K.W.Moremen, J.Hu, J.J.Yang. Structural Basis For Regulation of Human Calcium-Sensing Receptor By Magnesium Ions and An Unexpected Tryptophan Derivative Co-Agonist. Sci Adv V. 2 00241 2016.
ISSN: ESSN 2375-2548
PubMed: 27386547
DOI: 10.1126/SCIADV.1600241