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

Protein crystallography data

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

Other elements in 7cda:

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

Magnesium (Mg) 4 atoms

Calcium Binding Sites:

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 7cda

Go back to Calcium Binding Sites List in 7cda
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 7cda

Go back to Calcium Binding Sites List in 7cda
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

Reference:

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.
Page generated: Wed Jul 9 21:13:55 2025

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