Calcium in PDB 5zxh: The Structure of MT189-Tubulin Complex

The structure of The Structure of MT189-Tubulin Complex, PDB code: 5zxh was solved by Z.P.Li, Y.X.Wang, T.Meng, J.L.Yang, Q.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.910, 157.060, 182.838, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 25.9

The structure of The Structure of MT189-Tubulin Complex also contains other interesting chemical elements:

Fluorine	(F)	2 atoms
Magnesium	(Mg)	4 atoms

The binding sites of Calcium atom in the The Structure of MT189-Tubulin Complex (pdb code 5zxh). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the The Structure of MT189-Tubulin Complex, PDB code: 5zxh:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the The Structure of MT189-Tubulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Structure of MT189-Tubulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:62.2 occ:1.00 O A:THR41 2.3 77.4 1.0 OG1 A:THR41 2.4 86.0 1.0 OD2 A:ASP39 2.5 55.0 1.0 OD1 A:ASP39 2.5 47.6 1.0 OE2 A:GLU55 2.5 59.3 1.0 O A:GLY44 2.7 53.2 1.0 OE1 A:GLU55 2.8 65.1 1.0 CG A:ASP39 2.9 52.2 1.0 CD A:GLU55 3.0 61.4 1.0 C A:THR41 3.3 76.6 1.0 CB A:THR41 3.5 80.5 1.0 C A:GLY44 3.7 61.4 1.0 CA A:THR41 3.8 77.8 1.0 CA A:GLY45 4.1 64.7 1.0 N A:THR41 4.2 72.4 1.0 N A:GLY45 4.3 60.5 1.0 OD2 A:ASP47 4.3 62.1 1.0 CB A:ASP39 4.4 52.1 1.0 CG A:GLU55 4.5 61.6 1.0 OD1 A:ASN50 4.5 46.8 1.0 N A:ILE42 4.5 70.3 1.0 N A:GLY44 4.6 65.0 1.0 CA A:GLY44 4.7 64.7 1.0 CZ A:PHE49 4.7 56.9 1.0 CG2 A:THR41 4.8 76.8 1.0 NE2 A:HIS61 4.9 57.1 1.0 ND2 A:ASN50 4.9 47.8 1.0

Calcium binding site 2 out of 3 in the The Structure of MT189-Tubulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Structure of MT189-Tubulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca504 b:82.3 occ:1.00 OE1 B:GLU111 2.4 80.6 1.0 CD B:GLU111 3.4 73.5 1.0 OE2 B:GLU111 3.8 78.9 1.0 OE1 B:GLU108 4.1 44.4 1.0 CD B:GLU108 4.7 42.5 1.0 OE2 B:GLU108 4.8 46.9 1.0 CG B:GLU111 4.8 63.8 1.0

Calcium binding site 3 out of 3 in the The Structure of MT189-Tubulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The Structure of MT189-Tubulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca503 b:56.7 occ:1.00 OE2 C:GLU55 1.9 36.7 1.0 OG1 C:THR41 2.3 57.6 1.0 OD1 C:ASP39 2.4 42.4 1.0 O C:THR41 2.6 47.8 1.0 O C:GLY44 2.7 46.5 1.0 OD2 C:ASP39 2.7 44.9 1.0 CG C:ASP39 2.9 43.6 1.0 CD C:GLU55 3.0 38.3 1.0 OE1 C:GLU55 3.5 43.6 1.0 CB C:THR41 3.5 53.4 1.0 C C:GLY44 3.6 46.5 1.0 C C:THR41 3.6 49.2 1.0 OD2 C:ASP47 3.7 53.4 1.0 CA C:GLY45 3.9 48.8 1.0 CA C:THR41 4.0 51.1 1.0 N C:GLY45 4.1 47.1 1.0 OD1 C:ASN50 4.1 32.1 1.0 CG C:GLU55 4.3 34.9 1.0 N C:THR41 4.4 51.9 1.0 CB C:ASP39 4.5 44.5 1.0 CZ C:PHE49 4.5 29.9 1.0 CA C:GLY44 4.7 45.7 1.0 CE1 C:PHE49 4.7 29.7 1.0 CG2 C:THR41 4.7 55.3 1.0 ND2 C:ASN50 4.8 29.8 1.0 N C:GLY44 4.8 46.1 1.0 N C:ILE42 4.9 47.8 1.0 CG C:ASN50 4.9 28.8 1.0 NE2 C:HIS61 4.9 35.4 1.0 CG C:ASP47 4.9 47.3 1.0 C C:GLY45 5.0 48.5 1.0

Z.P.Li, L.L.Ma, C.Y.Wu, T.Meng, L.P.Ma, W.Zheng, Y.Yu, Q.Chen, J.L.Yang, J.G.Shen. The Structure of MT189-Tubulin Complex Provides Insights Into Drug Design Lett.Drug Des.Discovery 2019.
ISSN: ISSN 1570-1808
DOI: 10.2174/1570180816666181122122655