Calcium in PDB 7cpd: Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 Complex

The structure of Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 Complex, PDB code: 7cpd was solved by H.Jiang, C.Luo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.89 / 2.51
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.782, 156.552, 182.591, 90, 90, 90
R / Rfree (%)	18.3 / 24

The structure of Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 Complex also contains other interesting chemical elements:

Magnesium	(Mg)	3 atoms
Bromine	(Br)	2 atoms

The binding sites of Calcium atom in the Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 Complex (pdb code 7cpd). 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-(+)-6-Br-JP18 Complex, PDB code: 7cpd:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 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-(+)-6-Br-JP18 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:73.5 occ:1.00 OG1 A:THR41 2.4 77.6 1.0 OD2 A:ASP39 2.4 62.1 1.0 OE1 A:GLU55 2.4 64.0 1.0 O A:THR41 2.5 85.5 1.0 OD1 A:ASP39 2.5 64.2 1.0 O A:GLY44 2.6 66.7 1.0 CG A:ASP39 2.8 70.2 1.0 OE2 A:GLU55 2.9 76.2 1.0 CD A:GLU55 3.0 71.3 1.0 C A:THR41 3.5 81.1 1.0 CB A:THR41 3.5 75.8 1.0 C A:GLY44 3.6 70.2 1.0 CA A:THR41 3.9 75.7 1.0 N A:THR41 4.2 75.4 1.0 O A:HOH601 4.2 60.9 1.0 N A:GLY44 4.3 76.7 1.0 N A:GLY45 4.3 71.2 1.0 CB A:ASP39 4.3 68.2 1.0 CA A:GLY45 4.3 72.8 1.0 CZ A:PHE49 4.3 58.4 1.0 CA A:GLY44 4.5 71.4 1.0 CG A:GLU55 4.5 66.3 1.0 OD2 A:ASP47 4.5 78.7 1.0 OD1 A:ASN50 4.6 60.8 1.0 N A:ILE42 4.7 81.6 1.0 NE2 A:HIS61 4.7 60.3 1.0 CG2 A:THR41 4.8 76.6 1.0 ND2 A:ASN50 4.8 62.2 1.0 N A:GLY43 4.9 77.9 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 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-(+)-6-Br-JP18 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca503 b:129.0 occ:1.00 OE1 B:GLU113 2.7 52.2 1.0 OE1 B:GLU110 3.4 29.3 1.0 CD B:GLU113 3.8 47.6 1.0 OE2 B:GLU110 4.0 47.6 1.0 CD B:GLU110 4.1 33.8 1.0 OE2 B:GLU113 4.2 57.7 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 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-(+)-6-Br-JP18 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca504 b:96.6 occ:1.00 O C:HOH620 2.5 52.6 1.0 O C:TYR282 4.3 42.4 1.0 O C:GLU279 4.4 43.1 1.0 O C:LYS280 4.8 51.6 1.0 OE1 C:GLU284 4.9 86.7 1.0

H.Jiang, C.Luo. Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 Complex To Be Published.