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Calcium in PDB 5xkg: Crystal Structure of T2R-Ttl-CH1 Complex

Protein crystallography data

The structure of Crystal Structure of T2R-Ttl-CH1 Complex, PDB code: 5xkg was solved by Y.Wang, J.Yang, T.Wang, L.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.68 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 105.122, 157.656, 181.593, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / 24

Other elements in 5xkg:

The structure of Crystal Structure of T2R-Ttl-CH1 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-CH1 Complex (pdb code 5xkg). 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-CH1 Complex, PDB code: 5xkg:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 5xkg

Go back to Calcium Binding Sites List in 5xkg
Calcium binding site 1 out of 2 in the Crystal Structure of T2R-Ttl-CH1 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-CH1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca503

b:53.0
occ:1.00
O A:GLY44 2.3 50.7 1.0
O A:HOH659 2.4 50.7 1.0
O A:THR41 2.4 59.3 1.0
OD2 A:ASP39 2.4 58.6 1.0
OD1 A:ASP39 2.5 54.1 1.0
OE1 A:GLU55 2.5 55.6 1.0
OE2 A:GLU55 2.6 47.9 1.0
OG1 A:THR41 2.7 55.5 1.0
CG A:ASP39 2.8 59.1 1.0
CD A:GLU55 2.9 54.8 1.0
C A:THR41 3.4 61.4 1.0
C A:GLY44 3.5 55.2 1.0
CB A:THR41 3.6 59.5 1.0
CA A:THR41 3.9 60.5 1.0
CA A:GLY45 4.2 57.0 1.0
N A:THR41 4.2 64.5 1.0
N A:GLY45 4.3 54.0 1.0
N A:GLY44 4.3 56.8 1.0
CB A:ASP39 4.4 58.6 1.0
O A:HOH646 4.4 57.2 1.0
CG A:GLU55 4.4 54.6 1.0
CA A:GLY44 4.5 55.6 1.0
NE2 A:HIS61 4.6 56.9 1.0
CZ A:PHE49 4.6 50.1 1.0
N A:ILE42 4.6 63.9 1.0
OD1 A:ASN50 4.6 52.1 1.0
OD2 A:ASP47 4.6 59.7 1.0
ND2 A:ASN50 4.9 52.9 1.0
CE1 A:PHE49 4.9 49.7 1.0
N A:GLY43 5.0 55.0 1.0

Calcium binding site 2 out of 2 in 5xkg

Go back to Calcium Binding Sites List in 5xkg
Calcium binding site 2 out of 2 in the Crystal Structure of T2R-Ttl-CH1 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-CH1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca503

b:40.9
occ:1.00
O C:THR41 2.4 46.8 1.0
O C:GLY44 2.4 44.9 1.0
OE1 C:GLU55 2.4 38.6 1.0
O C:HOH618 2.4 33.0 1.0
OD2 C:ASP39 2.5 43.5 1.0
OD1 C:ASP39 2.5 42.4 1.0
OE2 C:GLU55 2.6 38.7 1.0
OG1 C:THR41 2.6 52.5 1.0
CG C:ASP39 2.8 43.6 1.0
CD C:GLU55 2.9 38.3 1.0
C C:THR41 3.4 48.6 1.0
C C:GLY44 3.5 49.5 1.0
CB C:THR41 3.6 51.5 1.0
CA C:THR41 3.8 50.0 1.0
N C:THR41 4.1 54.0 1.0
N C:GLY45 4.3 49.5 1.0
CA C:GLY45 4.3 48.1 1.0
CB C:ASP39 4.4 43.2 1.0
CG C:GLU55 4.4 35.9 1.0
O C:HOH607 4.4 42.8 1.0
N C:GLY44 4.5 47.1 1.0
CA C:GLY44 4.5 49.0 1.0
N C:ILE42 4.6 46.9 1.0
OD2 C:ASP47 4.6 47.5 1.0
OD1 C:ASN50 4.7 30.2 1.0
NE2 C:HIS61 4.7 34.3 1.0
CZ C:PHE49 4.8 39.8 1.0
CE1 C:PHE49 4.9 38.2 1.0
CG2 C:THR41 4.9 47.2 1.0
CA C:ILE42 5.0 44.5 1.0

Reference:

W.Yan, J.Yang. Identification of A Powerful and Reversible Microtubule-Inhibitor with Efficacy Against Multidrug-Resistant Tumors To Be Published.
Page generated: Mon Jul 15 15:00:27 2024

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