Calcium in PDB 4tuy: Tubulin-Rhizoxin Complex

The structure of Tubulin-Rhizoxin Complex, PDB code: 4tuy was solved by A.E.Prota, K.Bargsten, J.F.Diaz, M.Marsh, C.Cuevas, M.Liniger, C.Neuhaus, J.M.Andreu, K.H.Altmann, M.O.Steinmetz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.70 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.310, 156.920, 181.120, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 21.7

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

Magnesium

(Mg)

5 atoms

The binding sites of Calcium atom in the Tubulin-Rhizoxin Complex (pdb code 4tuy). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Tubulin-Rhizoxin Complex, PDB code: 4tuy:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Tubulin-Rhizoxin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Tubulin-Rhizoxin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:59.8 occ:1.00 OE2 A:GLU55 2.4 54.3 1.0 OD2 A:ASP39 2.4 64.8 1.0 O A:GLY44 2.5 84.8 1.0 O A:HOH842 2.5 46.6 1.0 O A:THR41 2.5 65.5 1.0 OE1 A:GLU55 2.5 62.3 1.0 OG1 A:THR41 2.6 61.1 1.0 OD1 A:ASP39 2.6 66.0 1.0 CD A:GLU55 2.8 58.2 1.0 CG A:ASP39 2.9 64.7 1.0 C A:GLY44 3.1 73.2 1.0 CB A:THR41 3.5 67.4 1.0 C A:THR41 3.6 71.0 1.0 N A:GLY45 3.8 69.0 1.0 CA A:GLY45 3.8 63.5 1.0 N A:GLY44 4.0 76.9 1.0 CA A:THR41 4.0 71.4 1.0 CA A:GLY44 4.0 74.2 1.0 CG A:GLU55 4.3 60.8 1.0 CB A:ASP39 4.4 62.5 1.0 N A:THR41 4.4 68.8 1.0 OD1 A:ASN50 4.6 60.1 1.0 CZ A:PHE49 4.6 56.3 1.0 OD2 A:ASP47 4.6 58.9 1.0 ND2 A:ASN50 4.7 53.2 1.0 N A:ILE42 4.8 74.9 1.0 NE2 A:HIS61 4.8 63.5 1.0 CG2 A:THR41 4.8 69.6 1.0 C A:GLY45 4.9 63.6 1.0

Calcium binding site 2 out of 2 in the Tubulin-Rhizoxin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Tubulin-Rhizoxin Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca503 b:43.5 occ:1.00 OD2 C:ASP39 2.3 52.2 1.0 OE2 C:GLU55 2.4 44.4 1.0 O C:THR41 2.4 40.8 1.0 OE1 C:GLU55 2.4 41.2 1.0 O C:HOH665 2.5 33.2 1.0 O C:GLY44 2.5 55.8 1.0 OG1 C:THR41 2.5 51.9 1.0 OD1 C:ASP39 2.6 50.6 1.0 CD C:GLU55 2.7 39.7 1.0 CG C:ASP39 2.8 53.1 1.0 C C:THR41 3.5 51.1 1.0 C C:GLY44 3.6 56.7 1.0 CB C:THR41 3.6 50.1 1.0 CA C:THR41 4.0 51.7 1.0 CG C:GLU55 4.2 37.3 1.0 N C:THR41 4.3 50.7 1.0 CB C:ASP39 4.3 50.7 1.0 N C:GLY45 4.4 53.6 1.0 CA C:GLY45 4.4 52.7 1.0 N C:GLY44 4.4 51.2 1.0 OD2 C:ASP47 4.4 60.5 1.0 O C:HOH673 4.5 39.5 1.0 CA C:GLY44 4.5 56.0 1.0 NE2 C:HIS61 4.5 39.8 1.0 OD1 C:ASN50 4.5 35.1 1.0 CZ C:PHE49 4.6 37.3 1.0 N C:ILE42 4.6 49.5 1.0 ND2 C:ASN50 4.8 35.2 1.0 CE1 C:PHE49 4.9 35.9 1.0 CG2 C:THR41 4.9 43.6 1.0

A.E.Prota, K.Bargsten, J.F.Diaz, M.Marsh, C.Cuevas, M.Liniger, C.Neuhaus, J.M.Andreu, K.H.Altmann, M.O.Steinmetz. A New Tubulin-Binding Site and Pharmacophore For Microtubule-Destabilizing Anticancer Drugs. Proc.Natl.Acad.Sci.Usa V. 111 13817 2014.
ISSN: ESSN 1091-6490
PubMed: 25114240
DOI: 10.1073/PNAS.1408124111