Calcium in PDB 7xr1: Crystal Structure of T2R-Ttl-3A Complex

The structure of Crystal Structure of T2R-Ttl-3A Complex, PDB code: 7xr1 was solved by T.Lun, C.Y.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.35 / 2.81
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.096, 157.528, 181.017, 90, 90, 90
R / Rfree (%)	20.3 / 24.6

The structure of Crystal Structure of T2R-Ttl-3A Complex also contains other interesting chemical elements:

Chlorine	(Cl)	3 atoms
Magnesium	(Mg)	3 atoms
Fluorine	(F)	2 atoms

The binding sites of Calcium atom in the Crystal Structure of T2R-Ttl-3A Complex (pdb code 7xr1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of T2R-Ttl-3A Complex, PDB code: 7xr1:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of T2R-Ttl-3A Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of T2R-Ttl-3A Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:68.6 occ:1.00 O A:THR41 2.2 78.5 1.0 OD1 A:ASP39 2.3 66.9 1.0 O A:GLY44 2.4 57.6 1.0 OD2 A:ASP39 2.4 54.4 1.0 OE2 A:GLU55 2.4 67.1 1.0 OE1 A:GLU55 2.6 62.0 1.0 CG A:ASP39 2.6 56.0 1.0 CD A:GLU55 2.8 67.8 1.0 C A:THR41 3.3 73.7 1.0 CB A:THR41 3.4 75.0 1.0 C A:GLY44 3.4 63.5 1.0 CA A:THR41 3.8 73.4 1.0 CB A:ASP39 4.1 63.8 1.0 N A:THR41 4.2 71.7 1.0 OG1 A:THR41 4.2 83.8 1.0 N A:GLY45 4.2 60.4 1.0 CG2 A:THR41 4.3 71.3 1.0 CA A:GLY45 4.3 71.2 1.0 N A:GLY44 4.3 63.4 1.0 CG A:GLU55 4.3 61.9 1.0 CZ A:PHE49 4.4 65.0 1.0 CA A:GLY44 4.4 73.8 1.0 N A:ILE42 4.5 71.0 1.0 OD2 A:ASP47 4.6 65.5 1.0 NE2 A:HIS61 4.7 65.8 1.0 OD1 A:ASN50 4.8 62.0 1.0 CE1 A:PHE49 4.8 54.0 1.0 CA A:ASP39 4.9 70.7 1.0 ND2 A:ASN50 4.9 72.9 1.0 CA A:ILE42 4.9 68.8 1.0 C A:ASP39 5.0 70.4 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of T2R-Ttl-3A Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of T2R-Ttl-3A Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca503 b:43.1 occ:1.00 OE2 C:GLU55 2.4 49.0 1.0 O C:GLY44 2.4 48.9 1.0 O C:THR41 2.4 44.9 1.0 OD2 C:ASP39 2.5 39.0 1.0 OG1 C:THR41 2.5 56.6 1.0 OE1 C:GLU55 2.5 41.1 1.0 OD1 C:ASP39 2.7 50.1 1.0 CD C:GLU55 2.8 39.0 1.0 CG C:ASP39 2.9 41.8 1.0 C C:THR41 3.4 42.9 1.0 C C:GLY44 3.5 46.7 1.0 CB C:THR41 3.5 47.5 1.0 CA C:THR41 3.9 42.3 1.0 OD2 C:ASP47 4.1 60.2 1.0 CA C:GLY45 4.1 43.2 1.0 N C:THR41 4.1 45.2 1.0 N C:GLY45 4.2 42.2 1.0 CG C:GLU55 4.3 29.8 1.0 CB C:ASP39 4.4 45.8 1.0 N C:GLY44 4.5 43.1 1.0 NE2 C:HIS61 4.5 38.3 1.0 OD1 C:ASN50 4.5 47.1 1.0 CA C:GLY44 4.5 47.0 1.0 N C:ILE42 4.6 50.5 1.0 CZ C:PHE49 4.7 36.4 1.0 CE1 C:PHE49 4.8 41.4 1.0 CG2 C:THR41 4.8 44.8 1.0

T.Lun, W.Chengyong. Crystal Structure of T2R-Ttl-3A Complex To Be Published.