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Calcium in PDB 5xkh: Crystal Structure of T2R-Ttl-CF1 Complex

Protein crystallography data

The structure of Crystal Structure of T2R-Ttl-CF1 Complex, PDB code: 5xkh 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) 50.00 / 2.25
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 105.515, 158.442, 180.604, 90.00, 90.00, 90.00
R / Rfree (%) 19.5 / 24

Other elements in 5xkh:

The structure of Crystal Structure of T2R-Ttl-CF1 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-CF1 Complex (pdb code 5xkh). 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-CF1 Complex, PDB code: 5xkh:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 5xkh

Go back to Calcium Binding Sites List in 5xkh
Calcium binding site 1 out of 2 in the Crystal Structure of T2R-Ttl-CF1 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-CF1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca503

b:56.9
occ:1.00
O A:GLY44 2.3 54.8 1.0
O A:HOH695 2.3 56.5 1.0
OD1 A:ASP39 2.4 55.2 1.0
OD2 A:ASP39 2.4 57.7 1.0
O A:THR41 2.5 73.0 1.0
OE1 A:GLU55 2.5 58.8 1.0
OE2 A:GLU55 2.6 49.0 1.0
OG1 A:THR41 2.7 61.0 1.0
CG A:ASP39 2.8 58.5 1.0
CD A:GLU55 2.9 60.8 1.0
C A:GLY44 3.5 57.9 1.0
C A:THR41 3.6 71.3 1.0
CB A:THR41 3.7 68.9 1.0
CA A:THR41 4.0 71.0 1.0
CA A:GLY45 4.2 61.8 1.0
N A:GLY45 4.2 58.6 1.0
N A:THR41 4.3 71.3 1.0
CB A:ASP39 4.3 60.9 1.0
N A:GLY44 4.4 62.8 1.0
O A:HOH677 4.4 57.0 1.0
CG A:GLU55 4.5 59.8 1.0
CA A:GLY44 4.5 60.0 1.0
CZ A:PHE49 4.6 52.7 1.0
NE2 A:HIS61 4.6 59.1 1.0
OD1 A:ASN50 4.6 52.9 1.0
N A:ILE42 4.7 69.1 1.0
OD2 A:ASP47 4.8 62.6 1.0
CE1 A:PHE49 4.9 55.1 1.0
ND2 A:ASN50 5.0 54.4 1.0

Calcium binding site 2 out of 2 in 5xkh

Go back to Calcium Binding Sites List in 5xkh
Calcium binding site 2 out of 2 in the Crystal Structure of T2R-Ttl-CF1 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-CF1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca503

b:42.5
occ:1.00
O C:GLY44 2.3 46.2 1.0
O C:HOH602 2.4 34.1 1.0
O C:THR41 2.4 48.6 1.0
OE1 C:GLU55 2.4 39.1 1.0
OD2 C:ASP39 2.5 45.4 1.0
OE2 C:GLU55 2.5 39.8 1.0
OD1 C:ASP39 2.5 44.3 1.0
OG1 C:THR41 2.5 50.9 1.0
CD C:GLU55 2.8 42.2 1.0
CG C:ASP39 2.9 45.8 1.0
C C:GLY44 3.4 48.8 1.0
C C:THR41 3.4 51.1 1.0
CB C:THR41 3.6 53.0 1.0
CA C:THR41 3.9 49.8 1.0
N C:THR41 4.1 51.5 1.0
N C:GLY45 4.2 51.0 1.0
CA C:GLY45 4.3 47.5 1.0
CG C:GLU55 4.3 39.6 1.0
N C:GLY44 4.4 49.7 1.0
CA C:GLY44 4.4 49.8 1.0
CB C:ASP39 4.4 45.5 1.0
O C:HOH624 4.5 52.9 1.0
OD2 C:ASP47 4.5 50.2 1.0
O C:HOH620 4.5 40.3 1.0
OD1 C:ASN50 4.6 34.0 1.0
N C:ILE42 4.6 50.1 1.0
NE2 C:HIS61 4.7 35.3 1.0
CZ C:PHE49 4.8 43.0 1.0
CE1 C:PHE49 4.9 42.4 1.0
CG2 C:THR41 5.0 49.3 1.0
ND2 C:ASN50 5.0 31.4 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 15:00:26 2024

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