Calcium in PDB 7zyw: Crystal Structure of T2R-Ttl-PM534 Complex

The structure of Crystal Structure of T2R-Ttl-PM534 Complex, PDB code: 7zyw was solved by M.A.Oliva, J.F.Diaz, C.Cuevas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.66 / 2.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.803, 158.026, 181.08, 90, 90, 90
R / Rfree (%)	21.9 / 24.4

The structure of Crystal Structure of T2R-Ttl-PM534 Complex also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Chlorine	(Cl)	1 atom

The binding sites of Calcium atom in the Crystal Structure of T2R-Ttl-PM534 Complex (pdb code 7zyw). 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-PM534 Complex, PDB code: 7zyw:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of T2R-Ttl-PM534 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-PM534 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca504 b:83.8 occ:1.00 OD2 A:ASP39 2.3 96.8 1.0 OG1 A:THR41 2.3 90.1 1.0 O A:HOH604 2.4 92.3 1.0 O A:GLY44 2.4 80.5 1.0 OE2 A:GLU55 2.4 81.5 1.0 O A:THR41 2.4 91.6 1.0 OD1 A:ASP39 2.4 105.7 1.0 OE1 A:GLU55 2.4 101.7 1.0 CG A:ASP39 2.7 99.5 1.0 CD A:GLU55 2.7 89.0 1.0 CB A:THR41 3.3 103.7 1.0 C A:THR41 3.4 102.9 1.0 HB A:THR41 3.4 102.3 1.0 HA3 A:GLY45 3.5 114.4 1.0 HZ A:PHE49 3.5 109.3 1.0 C A:GLY44 3.6 87.7 1.0 H A:THR41 3.6 97.1 1.0 CA A:THR41 3.7 107.6 1.0 H A:GLY44 3.8 97.3 1.0 N A:THR41 4.0 98.3 1.0 HE2 A:HIS61 4.0 95.0 1.0 HD21 A:ASN50 4.0 93.3 1.0 CB A:ASP39 4.2 91.7 1.0 CG A:GLU55 4.3 83.5 1.0 CA A:GLY45 4.3 114.7 1.0 CZ A:PHE49 4.3 111.8 1.0 N A:GLY45 4.4 118.4 1.0 N A:GLY44 4.4 100.1 1.0 HE1 A:PHE49 4.5 101.4 1.0 OD1 A:ASN50 4.5 102.4 1.0 N A:ILE42 4.6 92.4 1.0 HB2 A:ASP39 4.6 91.0 1.0 CA A:GLY44 4.6 97.8 1.0 HB3 A:ASP39 4.6 91.0 1.0 HA A:ILE42 4.6 91.9 1.0 OD2 A:ASP47 4.6 111.8 1.0 HG2 A:GLU55 4.6 83.0 1.0 HG3 A:GLU55 4.6 83.0 1.0 CG2 A:THR41 4.7 107.1 1.0 HA A:THR41 4.7 105.9 1.0 NE2 A:HIS61 4.7 96.3 1.0 ND2 A:ASN50 4.8 94.7 1.0 HG21 A:THR41 4.8 105.6 1.0 CE1 A:PHE49 4.9 103.7 1.0 HA2 A:GLY45 4.9 114.4 1.0 H A:GLY43 4.9 89.1 1.0 HA A:ASP39 4.9 96.2 1.0 HB3 A:GLU55 4.9 94.8 1.0 HG23 A:THR41 4.9 105.6 1.0 H A:LYS40 5.0 95.7 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of T2R-Ttl-PM534 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-PM534 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca507 b:84.6 occ:1.00 O B:HOH610 2.3 78.1 1.0 OE1 B:GLU113 2.4 91.6 1.0 CD B:GLU113 3.2 102.6 1.0 OE2 B:GLU113 3.3 111.4 1.0 OE1 B:GLU110 4.5 70.3 1.0 HG B:SER97 4.6 103.0 1.0 CG B:GLU113 4.7 85.1 1.0 HB2 B:GLU113 4.8 67.5 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of T2R-Ttl-PM534 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-PM534 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca503 b:70.2 occ:1.00 OE2 C:GLU55 2.3 68.5 1.0 O C:THR41 2.4 76.0 1.0 O C:HOH616 2.4 63.2 1.0 OG1 C:THR41 2.4 75.2 1.0 OD2 C:ASP39 2.4 57.9 1.0 OE1 C:GLU55 2.4 81.4 1.0 O C:GLY44 2.4 75.5 1.0 OD1 C:ASP39 2.5 71.2 1.0 CD C:GLU55 2.7 71.1 1.0 CG C:ASP39 2.8 65.1 1.0 C C:THR41 3.4 80.6 1.0 CB C:THR41 3.5 82.5 1.0 HA3 C:GLY45 3.6 78.0 1.0 C C:GLY44 3.6 74.8 1.0 H C:THR41 3.7 83.8 1.0 HB C:THR41 3.8 81.8 1.0 HE2 C:HIS61 3.9 78.5 1.0 CA C:THR41 3.9 88.5 1.0 HZ C:PHE49 3.9 81.5 1.0 H C:GLY44 4.0 87.2 1.0 HD21 C:ASN50 4.1 68.9 1.0 N C:THR41 4.1 84.9 1.0 HE1 C:PHE49 4.2 74.3 1.0 CG C:GLU55 4.2 64.2 1.0 CB C:ASP39 4.3 73.6 1.0 OD2 C:ASP47 4.3 99.5 1.0 O C:HOH611 4.4 64.5 1.0 CA C:GLY45 4.4 78.7 1.0 N C:GLY45 4.5 79.2 1.0 OD1 C:ASN50 4.5 81.1 1.0 HA C:ILE42 4.6 75.6 1.0 NE2 C:HIS61 4.6 79.9 1.0 HG2 C:GLU55 4.6 63.9 1.0 N C:ILE42 4.6 78.1 1.0 N C:GLY44 4.6 88.3 1.0 HG3 C:GLU55 4.6 63.9 1.0 CZ C:PHE49 4.6 83.0 1.0 CA C:GLY44 4.6 77.5 1.0 HB3 C:ASP39 4.6 73.6 1.0 HB2 C:ASP39 4.7 73.6 1.0 CE1 C:PHE49 4.7 75.5 1.0 CG2 C:THR41 4.8 81.8 1.0 HA C:THR41 4.8 87.5 1.0 ND2 C:ASN50 4.8 70.1 1.0 HA2 C:GLY44 4.8 76.8 1.0 HG23 C:THR41 4.9 80.9 1.0 HG21 C:THR41 5.0 80.9 1.0 HA2 C:GLY45 5.0 78.0 1.0 HA C:ASP39 5.0 82.9 1.0 HB3 C:GLU55 5.0 64.3 1.0

M.A.Oliva, J.F.Diaz, C.Cuevas. Structure of T2R-Ttl-PM534 Complex To Be Published.