Calcium in PDB 4o4l: Tubulin-Peloruside A-Epothilone A Complex

The structure of Tubulin-Peloruside A-Epothilone A Complex, PDB code: 4o4l was solved by A.E.Prota, K.Bargsten, P.T.Northcote, M.Marsh, K.H.Altmann, J.H.Miller, J.F.Diaz, M.O.Steinmetz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.10 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.400, 156.330, 180.400, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 22.4

The structure of Tubulin-Peloruside A-Epothilone A Complex also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Calcium atom in the Tubulin-Peloruside A-Epothilone A Complex (pdb code 4o4l). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Tubulin-Peloruside A-Epothilone A Complex, PDB code: 4o4l:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Tubulin-Peloruside A-Epothilone A Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Tubulin-Peloruside A-Epothilone A Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:67.0 occ:1.00 O A:THR41 2.4 95.6 1.0 OD2 A:ASP39 2.5 61.1 1.0 OE2 A:GLU55 2.5 61.0 1.0 O A:HOH714 2.6 48.9 1.0 OE1 A:GLU55 2.7 67.2 1.0 OD1 A:ASP39 2.7 77.7 1.0 O A:GLY44 2.7 86.0 1.0 CD A:GLU55 3.0 68.0 1.0 CG A:ASP39 3.0 66.2 1.0 CB A:THR41 3.2 89.2 1.0 OG1 A:THR41 3.2 90.0 1.0 C A:THR41 3.3 92.7 1.0 C A:GLY44 3.6 85.8 1.0 CA A:THR41 3.7 89.6 1.0 N A:THR41 4.2 87.8 1.0 N A:GLY45 4.3 86.5 1.0 CA A:GLY45 4.3 89.5 1.0 OD2 A:ASP47 4.3 81.0 1.0 CZ A:PHE49 4.3 77.4 1.0 N A:GLY44 4.3 86.1 1.0 CA A:GLY44 4.5 87.8 1.0 CG A:GLU55 4.5 65.3 1.0 CB A:ASP39 4.5 61.1 1.0 CG2 A:THR41 4.5 91.8 1.0 N A:ILE42 4.5 92.6 1.0 NE2 A:HIS61 4.6 64.1 1.0 OD1 A:ASN50 4.6 61.0 1.0 ND2 A:ASN50 4.8 65.2 1.0 CA A:ILE42 5.0 88.5 1.0 CE1 A:PHE49 5.0 77.8 1.0

Calcium binding site 2 out of 3 in the Tubulin-Peloruside A-Epothilone A Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Tubulin-Peloruside A-Epothilone A Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca505 b:97.0 occ:1.00 O B:HOH656 2.5 63.7 1.0 OD2 B:ASP120 3.9 45.5 1.0 OD1 B:ASP120 4.0 49.9 1.0 CG B:ASP120 4.4 47.2 1.0 O B:HOH708 4.5 58.2 1.0 CB B:ASP116 4.8 46.5 1.0

Calcium binding site 3 out of 3 in the Tubulin-Peloruside A-Epothilone A Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Tubulin-Peloruside A-Epothilone A Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca506 b:99.3 occ:1.00 OE2 B:GLU113 2.4 91.1 1.0 CD B:GLU113 3.2 82.1 1.0 OE1 B:GLU113 3.4 81.3 1.0 OE1 B:GLU110 4.5 39.7 1.0 CG B:GLU113 4.7 65.0 1.0

A.E.Prota, K.Bargsten, P.T.Northcote, M.Marsh, K.H.Altmann, J.H.Miller, J.F.Diaz, M.O.Steinmetz. Structural Basis of Microtubule Stabilization By Laulimalide and Peloruside A. Angew.Chem.Int.Ed.Engl. V. 53 1621 2014.
ISSN: ISSN 1433-7851
PubMed: 24470331
DOI: 10.1002/ANIE.201307749