Calcium in PDB 8huh: Crystal Structure of T2R-Ttl-3A Complex

The structure of Crystal Structure of T2R-Ttl-3A Complex, PDB code: 8huh was solved by Y.X.Wang, J.J.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.89 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.193, 157.879, 182.141, 90, 90, 90
R / Rfree (%)	21.5 / 26.6

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

Magnesium

(Mg)

3 atoms

The binding sites of Calcium atom in the Crystal Structure of T2R-Ttl-3A Complex (pdb code 8huh). 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: 8huh:
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:82.4 occ:1.00 OE1 A:GLU55 2.3 77.0 1.0 O A:GLY44 2.4 74.5 1.0 O A:THR41 2.5 85.2 1.0 OD2 A:ASP39 2.5 71.4 1.0 OD1 A:ASP39 2.5 86.5 1.0 OE2 A:GLU55 2.6 81.8 1.0 CD A:GLU55 2.7 76.7 1.0 CG A:ASP39 2.8 75.2 1.0 C A:GLY44 3.3 75.6 1.0 CB A:THR41 3.4 85.8 1.0 C A:THR41 3.5 87.2 1.0 CA A:THR41 3.9 83.0 1.0 N A:GLY45 4.1 70.0 1.0 CA A:GLY45 4.1 83.0 1.0 OG1 A:THR41 4.2 93.6 1.0 CG A:GLU55 4.2 73.9 1.0 ND2 A:ASN50 4.2 78.5 1.0 CG2 A:THR41 4.2 81.7 1.0 CZ A:PHE49 4.2 73.1 1.0 CB A:ASP39 4.3 73.3 1.0 CA A:GLY44 4.3 77.4 1.0 N A:GLY44 4.3 80.7 1.0 N A:THR41 4.4 77.5 1.0 OD2 A:ASP47 4.4 61.3 1.0 N A:ILE42 4.7 86.5 1.0 OD1 A:ASN50 4.8 65.9 1.0 CE2 A:PHE49 4.8 72.3 1.0 CE1 A:HIS61 4.9 76.5 1.0 CG A:ASN50 5.0 73.1 1.0 CG A:ASP47 5.0 70.8 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:57.5 occ:1.00 OE2 C:GLU55 2.4 59.7 1.0 OG1 C:THR41 2.4 74.5 1.0 O C:GLY44 2.5 59.3 1.0 OD2 C:ASP39 2.6 54.6 1.0 OD1 C:ASP39 2.6 61.3 1.0 O C:THR41 2.9 68.9 1.0 CG C:ASP39 2.9 59.7 1.0 OE1 C:GLU55 3.0 56.4 1.0 CD C:GLU55 3.1 56.0 1.0 C C:GLY44 3.4 52.6 1.0 CB C:THR41 3.7 62.0 1.0 C C:THR41 3.9 64.3 1.0 CA C:GLY45 3.9 52.1 1.0 OD1 C:ASN50 3.9 47.6 1.0 N C:GLY45 4.0 45.1 1.0 OD2 C:ASP47 4.1 77.0 1.0 CA C:THR41 4.2 67.0 1.0 N C:THR41 4.4 63.4 1.0 CG2 C:THR41 4.4 48.4 1.0 CB C:ASP39 4.5 65.3 1.0 CG C:GLU55 4.5 48.1 1.0 CA C:GLY44 4.5 62.1 1.0 CE1 C:PHE49 4.6 47.6 1.0 CZ C:PHE49 4.6 46.0 1.0 N C:GLY44 4.6 60.6 1.0 NE2 C:HIS61 4.8 48.8 1.0 CG C:ASN50 4.8 48.0 1.0 C C:GLY45 4.8 54.5 1.0 ND2 C:ASN50 4.9 47.8 1.0

Y.X.Wang, J.J.Chen. Crystal Structure of T2R-Ttl-3A Complex To Be Published.