Calcium in PDB 5xi7: Crystal Structure of T2R-Ttl Bound with Po-7

The structure of Crystal Structure of T2R-Ttl Bound with Po-7, PDB code: 5xi7 was solved by Y.Chu, Y.Wang, J.Yang, W.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	119.17 / 2.99
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.251, 157.375, 182.467, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 26.6

The structure of Crystal Structure of T2R-Ttl Bound with Po-7 also contains other interesting chemical elements:

Fluorine	(F)	4 atoms
Magnesium	(Mg)	4 atoms

The binding sites of Calcium atom in the Crystal Structure of T2R-Ttl Bound with Po-7 (pdb code 5xi7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of T2R-Ttl Bound with Po-7, PDB code: 5xi7:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of T2R-Ttl Bound with Po-7


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 Bound with Po-7 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:76.3 occ:1.00 O A:GLY44 2.3 76.3 1.0 OE2 A:GLU55 2.4 67.2 1.0 OG1 A:THR41 2.7 81.4 1.0 O A:THR41 2.7 84.9 1.0 OD1 A:ASP39 2.7 62.7 1.0 OD2 A:ASP39 2.8 66.4 1.0 CG A:ASP39 3.2 66.2 1.0 CD A:GLU55 3.3 66.6 1.0 C A:GLY44 3.4 81.0 1.0 OE1 A:GLU55 3.4 65.0 1.0 CB A:THR41 3.6 82.7 1.0 C A:THR41 3.7 84.3 1.0 CA A:GLY45 3.8 81.9 1.0 N A:GLY45 4.0 81.0 1.0 OD2 A:ASP47 4.1 68.0 1.0 CA A:THR41 4.1 84.0 1.0 OD1 A:ASN50 4.1 69.8 1.0 N A:THR41 4.3 83.5 1.0 CA A:GLY44 4.6 82.3 1.0 ND2 A:ASN50 4.7 69.2 1.0 CZ A:PHE49 4.7 67.4 1.0 CB A:ASP39 4.7 69.4 1.0 N A:GLY44 4.7 81.2 1.0 CG A:GLU55 4.7 66.5 1.0 CG A:ASN50 4.8 69.1 1.0 N A:ILE42 4.9 80.2 1.0 CG2 A:THR41 4.9 82.5 1.0 C A:GLY45 5.0 82.5 1.0 CG A:ASP47 5.0 68.3 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of T2R-Ttl Bound with Po-7


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 Bound with Po-7 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca504 b:65.7 occ:1.00 OE1 B:GLU111 2.5 71.6 1.0 CD B:GLU111 3.6 67.0 1.0 OE2 B:GLU111 3.9 68.8 1.0 OE1 B:GLU108 4.3 47.0 1.0 CG B:GLU111 4.9 61.6 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of T2R-Ttl Bound with Po-7


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of T2R-Ttl Bound with Po-7 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca503 b:56.1 occ:1.00 OG1 C:THR41 2.4 63.4 1.0 OE2 C:GLU55 2.4 44.4 1.0 OD1 C:ASP39 2.5 47.4 1.0 O C:GLY44 2.5 61.5 1.0 OD2 C:ASP39 2.7 45.8 1.0 O C:THR41 2.8 59.7 1.0 OE1 C:GLU55 3.0 44.2 1.0 CG C:ASP39 3.0 49.0 1.0 CD C:GLU55 3.1 44.0 1.0 C C:GLY44 3.5 59.8 1.0 CB C:THR41 3.6 60.8 1.0 OD2 C:ASP47 3.7 52.0 1.0 C C:THR41 3.8 59.4 1.0 CA C:GLY45 3.9 60.1 1.0 OD1 C:ASN50 4.0 48.2 1.0 N C:GLY45 4.1 59.7 1.0 CA C:THR41 4.1 59.8 1.0 N C:THR41 4.4 58.5 1.0 CZ C:PHE49 4.5 46.5 1.0 CB C:ASP39 4.5 51.9 1.0 CG C:GLU55 4.6 43.4 1.0 CA C:GLY44 4.6 58.7 1.0 N C:GLY44 4.8 57.2 1.0 CG2 C:THR41 4.8 62.6 1.0 CE1 C:PHE49 4.8 45.0 1.0 ND2 C:ASN50 4.9 46.9 1.0 CG C:ASN50 4.9 46.0 1.0 C C:GLY45 4.9 61.5 1.0 CG C:ASP47 4.9 50.6 1.0

Y.Chu, Y.Wang, J.Yang, W.Li. Synthesis, Biological Evaluation and X-Ray Structure of Anti-Microtubule Agents To Be Published.