Calcium in PDB 5osk: Tubulin-7J Complex

The structure of Tubulin-7J Complex, PDB code: 5osk was solved by G.Menchon, A.E.Prota, M.O.Steinmetz, B.V.L.Potter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.79 / 2.11
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.670, 159.920, 181.010, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 23.2

The structure of Tubulin-7J Complex also contains other interesting chemical elements:

Magnesium

(Mg)

5 atoms

The binding sites of Calcium atom in the Tubulin-7J Complex (pdb code 5osk). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Tubulin-7J Complex, PDB code: 5osk:

Calcium binding site 1 out of 1 in the Tubulin-7J Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Tubulin-7J Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca504 b:64.8 occ:1.00 O C:GLY44 2.4 69.2 1.0 O C:THR41 2.4 70.5 1.0 O C:HOH611 2.4 59.2 1.0 OE1 C:GLU55 2.5 56.4 1.0 OD2 C:ASP39 2.5 65.3 1.0 OE2 C:GLU55 2.5 57.0 1.0 OD1 C:ASP39 2.5 68.8 1.0 OG1 C:THR41 2.5 61.1 1.0 CD C:GLU55 2.8 57.4 1.0 CG C:ASP39 2.9 67.0 1.0 C C:THR41 3.5 74.2 1.0 C C:GLY44 3.5 73.8 1.0 CB C:THR41 3.5 65.3 1.0 CA C:THR41 3.9 73.0 1.0 N C:THR41 4.2 74.1 1.0 CA C:GLY45 4.2 74.3 1.0 N C:GLY45 4.3 74.3 1.0 N C:GLY44 4.3 81.4 1.0 CG C:GLU55 4.4 56.3 1.0 CB C:ASP39 4.4 68.0 1.0 OD2 C:ASP47 4.5 73.9 1.0 CA C:GLY44 4.5 78.0 1.0 O C:HOH635 4.5 72.2 1.0 OD1 C:ASN50 4.6 54.1 1.0 N C:ILE42 4.6 78.9 1.0 NE2 C:HIS61 4.7 53.4 1.0 CZ C:PHE49 4.7 58.3 1.0 CG2 C:THR41 4.9 57.3 1.0 O C:HOH754 4.9 62.4 1.0 ND2 C:ASN50 4.9 48.6 1.0

W.Dohle, F.L.Jourdan, G.Menchon, A.E.Prota, P.A.Foster, P.Mannion, E.Hamel, M.P.Thomas, P.G.Kasprzyk, E.Ferrandis, M.O.Steinmetz, M.P.Leese, B.V.L.Potter. Quinazolinone-Based Anticancer Agents: Synthesis, Antiproliferative Sar, Antitubulin Activity, and Tubulin Co-Crystal Structure. J. Med. Chem. V. 61 1031 2018.
ISSN: ISSN 1520-4804
PubMed: 29227648
DOI: 10.1021/ACS.JMEDCHEM.7B01474