Calcium in PDB 5xke: Crystal Structure of T2R-Ttl-Demecolcine Complex

The structure of Crystal Structure of T2R-Ttl-Demecolcine Complex, PDB code: 5xke was solved by Y.Wang, J.Yang, T.Wang, L.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.405, 158.023, 182.429, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 26.4

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

Magnesium

(Mg)

4 atoms

The binding sites of Calcium atom in the Crystal Structure of T2R-Ttl-Demecolcine Complex (pdb code 5xke). 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-Demecolcine Complex, PDB code: 5xke:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of T2R-Ttl-Demecolcine 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-Demecolcine Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:72.5 occ:1.00 O A:GLY44 2.6 69.8 1.0 OD1 A:ASP39 2.7 74.9 1.0 OE2 A:GLU55 2.8 67.8 1.0 OG1 A:THR41 2.8 81.0 1.0 O A:THR41 2.8 76.3 1.0 OD2 A:ASP39 3.0 76.5 1.0 OE1 A:GLU55 3.1 69.8 1.0 CG A:ASP39 3.2 75.9 1.0 CD A:GLU55 3.3 69.0 1.0 C A:GLY44 3.6 72.5 1.0 CB A:THR41 3.8 78.5 1.0 C A:THR41 3.9 76.3 1.0 OD2 A:ASP47 3.9 68.7 1.0 CA A:GLY45 4.0 74.0 1.0 N A:GLY45 4.2 72.3 1.0 CA A:THR41 4.2 77.3 1.0 OD1 A:ASN50 4.2 60.0 1.0 CZ A:PHE49 4.3 68.0 1.0 N A:THR41 4.5 75.9 1.0 CA A:GLY44 4.7 72.1 1.0 N A:GLY44 4.7 70.9 1.0 CB A:ASP39 4.7 76.1 1.0 ND2 A:ASN50 4.7 58.4 1.0 CG A:GLU55 4.8 69.6 1.0 CE1 A:PHE49 4.8 68.2 1.0 NE2 A:HIS61 4.9 69.6 1.0 CG A:ASN50 4.9 58.4 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of T2R-Ttl-Demecolcine 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-Demecolcine Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca503 b:69.3 occ:1.00 OE2 C:GLU55 2.4 52.1 1.0 OG1 C:THR41 2.6 68.9 1.0 O C:GLY44 2.7 64.0 1.0 OD1 C:ASP39 2.8 58.6 1.0 O C:THR41 2.8 68.3 1.0 OD2 C:ASP39 2.9 56.0 1.0 CG C:ASP39 3.2 58.7 1.0 CD C:GLU55 3.3 52.1 1.0 OE1 C:GLU55 3.5 54.2 1.0 C C:GLY44 3.5 63.4 1.0 OD2 C:ASP47 3.6 54.2 1.0 CB C:THR41 3.7 67.7 1.0 C C:THR41 3.8 66.5 1.0 CA C:GLY45 3.9 60.1 1.0 N C:GLY45 4.0 61.0 1.0 OD1 C:ASN50 4.0 42.4 1.0 CA C:THR41 4.2 67.0 1.0 N C:THR41 4.5 65.3 1.0 CZ C:PHE49 4.5 43.2 1.0 CA C:GLY44 4.6 65.5 1.0 CG C:GLU55 4.7 49.7 1.0 CE1 C:PHE49 4.7 43.7 1.0 CB C:ASP39 4.8 60.6 1.0 CG C:ASP47 4.8 51.9 1.0 ND2 C:ASN50 4.8 41.1 1.0 N C:GLY44 4.8 67.9 1.0 CG C:ASN50 4.9 40.7 1.0 C C:GLY45 4.9 60.0 1.0 CG2 C:THR41 5.0 68.0 1.0

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