Gadolinium 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
Chlorine	(Cl)	2 atoms

The binding sites of Gadolinium 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 Gadolinium atom.
In total 2 binding sites of Gadolinium where determined in the Crystal Structure of the Extracellular Domain of Human Calcium Sensing Receptor with Bound GD3+, PDB code: 5fbh:
Jump to Gadolinium binding site number: 1; 2;

Gadolinium 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 Gadolinium with other atoms in the Gd 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:Gd601 b:0.1 occ:1.00 OE1 B:GLU232 2.7 0.7 1.0 OE2 B:GLU229 2.7 90.9 1.0 OE1 B:GLU229 2.7 80.3 1.0 CD B:GLU229 3.1 73.4 1.0 CD B:GLU232 3.5 0.4 1.0 OE2 B:GLU232 3.6 0.8 1.0 OE2 B:GLU228 4.5 82.6 1.0 CG B:GLU229 4.6 65.5 1.0 NZ B:LYS225 4.7 54.0 1.0 NH1 B:ARG233 4.7 50.5 1.0 NH2 B:ARG233 5.0 49.0 1.0 CG B:GLU232 5.0 84.1 1.0

Gadolinium 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 Gadolinium with other atoms in the Gd 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:Gd601 b:0.4 occ:1.00 OE1 A:GLU232 2.5 0.8 1.0 OE2 A:GLU229 2.7 75.4 1.0 OE1 A:GLU229 2.7 67.9 1.0 CD A:GLU229 3.1 65.8 1.0 CD A:GLU232 3.6 99.6 1.0 OE2 A:GLU232 3.9 94.6 1.0 OE2 A:GLU228 4.4 82.6 1.0 CG A:GLU229 4.6 58.9 1.0 NZ A:LYS225 4.6 51.0 1.0 NH1 A:ARG233 4.8 57.6 1.0 CG A:GLU232 4.9 84.7 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