Calcium in PDB 5xhc: Crystal Structure of T2R-Ttl-PO10 Complex

The structure of Crystal Structure of T2R-Ttl-PO10 Complex, PDB code: 5xhc 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)	119.38 / 2.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.257, 157.885, 182.427, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 27.7

The structure of Crystal Structure of T2R-Ttl-PO10 Complex also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Magnesium	(Mg)	4 atoms

The binding sites of Calcium atom in the Crystal Structure of T2R-Ttl-PO10 Complex (pdb code 5xhc). 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-PO10 Complex, PDB code: 5xhc:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of T2R-Ttl-PO10 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-PO10 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:67.8 occ:1.00 O A:GLY44 2.4 61.6 1.0 OE2 A:GLU55 2.5 64.1 1.0 O A:THR41 2.5 76.5 1.0 OD1 A:ASP39 2.6 63.4 1.0 OD2 A:ASP39 2.8 62.8 1.0 OG1 A:THR41 2.8 75.1 1.0 CG A:ASP39 3.0 64.5 1.0 CD A:GLU55 3.3 64.9 1.0 OE1 A:GLU55 3.4 64.1 1.0 C A:GLY44 3.5 65.9 1.0 C A:THR41 3.6 76.1 1.0 CB A:THR41 3.6 75.8 1.0 CA A:THR41 4.0 75.9 1.0 CA A:GLY45 4.1 65.9 1.0 N A:GLY45 4.2 65.1 1.0 OD1 A:ASN50 4.2 63.8 1.0 N A:THR41 4.3 74.4 1.0 CB A:ASP39 4.6 65.8 1.0 CZ A:PHE49 4.6 67.4 1.0 OD2 A:ASP47 4.6 58.4 1.0 CA A:GLY44 4.7 67.0 1.0 N A:GLY44 4.7 67.0 1.0 CG A:GLU55 4.7 65.6 1.0 N A:ILE42 4.8 73.8 1.0 ND2 A:ASN50 4.8 61.3 1.0 NE2 A:HIS61 4.9 71.1 1.0 CG A:ASN50 5.0 61.4 1.0 CG2 A:THR41 5.0 75.6 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of T2R-Ttl-PO10 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-PO10 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca506 b:78.6 occ:1.00 OE1 B:GLU111 2.5 64.3 1.0 CD B:GLU111 3.5 62.8 1.0 OE2 B:GLU111 3.7 66.2 1.0 OE1 B:GLU108 4.2 43.8 1.0 CG B:GLU111 4.9 58.8 1.0 CD B:GLU108 4.9 43.5 1.0 OE2 B:GLU108 4.9 46.4 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of T2R-Ttl-PO10 Complex


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-PO10 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca503 b:56.7 occ:1.00 OG1 C:THR41 2.4 63.2 1.0 OE2 C:GLU55 2.5 45.5 1.0 O C:GLY44 2.6 58.3 1.0 OD1 C:ASP39 2.6 52.8 1.0 O C:THR41 2.8 57.4 1.0 OD2 C:ASP39 2.8 49.1 1.0 OE1 C:GLU55 3.1 45.4 1.0 CG C:ASP39 3.1 52.7 1.0 CD C:GLU55 3.1 44.1 1.0 C C:GLY44 3.5 57.7 1.0 CB C:THR41 3.6 60.4 1.0 OD2 C:ASP47 3.7 45.1 1.0 C C:THR41 3.8 57.5 1.0 CA C:GLY45 3.8 55.7 1.0 N C:GLY45 4.0 56.3 1.0 CA C:THR41 4.1 59.0 1.0 OD1 C:ASN50 4.1 38.2 1.0 N C:THR41 4.4 58.6 1.0 CZ C:PHE49 4.6 37.0 1.0 CA C:GLY44 4.6 58.2 1.0 CB C:ASP39 4.6 54.5 1.0 CG C:GLU55 4.6 42.2 1.0 N C:GLY44 4.7 57.6 1.0 CG2 C:THR41 4.8 60.3 1.0 CE1 C:PHE49 4.8 37.1 1.0 ND2 C:ASN50 4.9 37.2 1.0 CG C:ASP47 4.9 43.7 1.0 C C:GLY45 4.9 55.8 1.0 CG C:ASN50 4.9 37.1 1.0 N C:ILE42 5.0 56.3 1.0

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