Calcium in PDB 7cda: Crystal Structure of T2R-Ttl-Pac Complex

The structure of Crystal Structure of T2R-Ttl-Pac Complex, PDB code: 7cda was solved by L.J.Chen, Q.Chen, Y.Yu, J.H.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.76 / 2.66
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.086, 156.826, 182.407, 90, 90, 90
R / Rfree (%)	22.2 / 25.7

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

Magnesium

(Mg)

4 atoms

The binding sites of Calcium atom in the Crystal Structure of T2R-Ttl-Pac Complex (pdb code 7cda). 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-Pac Complex, PDB code: 7cda:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of T2R-Ttl-Pac 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-Pac Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:53.9 occ:1.00 OG1 A:THR41 2.4 87.6 1.0 OE2 A:GLU55 2.5 55.0 1.0 O A:GLY44 2.5 52.9 1.0 OD1 A:ASP39 2.5 55.7 1.0 OD2 A:ASP39 2.5 54.9 1.0 O A:THR41 2.6 64.5 1.0 OE1 A:GLU55 2.7 57.1 1.0 CG A:ASP39 2.8 52.5 1.0 CD A:GLU55 2.9 54.6 1.0 HB A:THR41 3.3 80.1 1.0 HA3 A:GLY45 3.3 61.8 1.0 CB A:THR41 3.3 66.7 1.0 HZ A:PHE49 3.3 75.6 1.0 C A:GLY44 3.5 57.1 1.0 C A:THR41 3.6 66.1 1.0 HD21 A:ASN50 3.7 57.5 1.0 H A:THR41 3.8 75.9 1.0 CA A:THR41 3.9 65.9 1.0 H A:GLY44 3.9 71.5 1.0 CA A:GLY45 4.1 51.5 1.0 CZ A:PHE49 4.1 63.0 1.0 N A:GLY45 4.2 50.9 1.0 N A:THR41 4.2 63.3 1.0 HE1 A:PHE49 4.3 66.8 1.0 CB A:ASP39 4.3 51.5 1.0 OD1 A:ASN50 4.4 53.5 1.0 CG A:GLU55 4.4 56.1 1.0 OD2 A:ASP47 4.5 66.0 1.0 CA A:GLY44 4.5 61.1 1.0 ND2 A:ASN50 4.5 47.9 1.0 N A:GLY44 4.6 59.6 1.0 O A:HOH659 4.6 47.8 1.0 HA2 A:GLY44 4.6 73.3 1.0 HB2 A:ASP39 4.6 61.8 1.0 HA2 A:GLY45 4.6 61.8 1.0 CG2 A:THR41 4.6 56.6 1.0 CE1 A:PHE49 4.6 55.7 1.0 NE2 A:HIS61 4.7 51.5 1.0 HG21 A:THR41 4.7 67.9 1.0 HB3 A:ASP39 4.8 61.8 1.0 HG2 A:GLU55 4.8 67.4 1.0 HG3 A:GLU55 4.8 67.4 1.0 N A:ILE42 4.8 64.8 1.0 HA A:THR41 4.8 79.1 1.0 CG A:ASN50 4.9 51.3 1.0 HA A:ILE42 4.9 73.8 1.0 H A:GLY45 5.0 61.0 1.0 HG23 A:THR41 5.0 67.9 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of T2R-Ttl-Pac 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-Pac Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca503 b:33.7 occ:1.00 OG1 C:THR41 2.4 43.0 1.0 OE2 C:GLU55 2.4 42.0 1.0 O C:THR41 2.4 44.2 1.0 OD2 C:ASP39 2.4 37.3 1.0 OE1 C:GLU55 2.5 38.6 1.0 O C:HOH607 2.5 38.2 1.0 OD1 C:ASP39 2.5 34.9 1.0 O C:GLY44 2.7 48.2 1.0 CD C:GLU55 2.8 40.3 1.0 CG C:ASP39 2.8 36.0 1.0 HA3 C:GLY45 3.3 63.5 1.0 C C:GLY44 3.4 50.0 1.0 C C:THR41 3.5 39.3 1.0 CB C:THR41 3.5 41.9 1.0 HB C:THR41 3.7 50.2 1.0 HZ C:PHE49 3.9 39.9 1.0 H C:GLY44 3.9 58.5 1.0 H C:THR41 3.9 51.5 1.0 CA C:THR41 4.0 39.3 1.0 N C:GLY45 4.0 45.0 1.0 HD21 C:ASN50 4.0 40.4 1.0 CA C:GLY45 4.0 53.0 1.0 HE1 C:PHE49 4.2 37.6 1.0 OD2 C:ASP47 4.3 44.4 1.0 CG C:GLU55 4.3 35.8 1.0 N C:THR41 4.3 43.0 1.0 CA C:GLY44 4.3 53.9 1.0 CB C:ASP39 4.3 41.6 1.0 HA2 C:GLY44 4.4 64.7 1.0 N C:GLY44 4.4 48.7 1.0 OD1 C:ASN50 4.5 31.3 1.0 HA2 C:GLY45 4.5 63.5 1.0 NE2 C:HIS61 4.5 35.3 1.0 O C:HOH680 4.5 34.1 1.0 HA C:ILE42 4.6 50.7 1.0 CZ C:PHE49 4.6 33.3 1.0 N C:ILE42 4.6 41.9 1.0 HG3 C:GLU55 4.7 42.9 1.0 HG2 C:GLU55 4.7 42.9 1.0 HB2 C:ASP39 4.7 49.9 1.0 H C:GLY45 4.7 54.0 1.0 HB3 C:ASP39 4.7 49.9 1.0 CG2 C:THR41 4.7 49.6 1.0 CE1 C:PHE49 4.8 31.3 1.0 ND2 C:ASN50 4.8 33.7 1.0 HA C:THR41 4.9 47.1 1.0 HG21 C:THR41 4.9 59.6 1.0 HG23 C:THR41 4.9 59.6 1.0 HB3 C:GLU55 5.0 42.7 1.0

L.J.Chen, Q.Chen, J.H.Yang, Y.Yu. Small Molecular Promote Selective Destabilization and Degradation of Tubular Heterodimers By Specific Charging of GLU198 of Beta-Tubulin Through A Low Barrier Hydrogen Bond To Be Published.