Calcium in PDB 4o4h: Tubulin-Laulimalide Complex

The structure of Tubulin-Laulimalide Complex, PDB code: 4o4h 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)	71.90 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.693, 156.868, 180.451, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 22.4

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

Magnesium

(Mg)

5 atoms

The binding sites of Calcium atom in the Tubulin-Laulimalide Complex (pdb code 4o4h). 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-Laulimalide Complex, PDB code: 4o4h:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Tubulin-Laulimalide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Tubulin-Laulimalide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:80.1 occ:1.00 O A:THR41 2.8 91.2 1.0 OE1 A:GLU55 2.8 67.4 1.0 OD2 A:ASP39 2.8 57.6 1.0 OE2 A:GLU55 2.9 59.8 1.0 OD1 A:ASP39 2.9 66.5 1.0 O A:GLY44 2.9 86.0 1.0 OG1 A:THR41 2.9 75.9 1.0 CD A:GLU55 3.2 69.8 1.0 CG A:ASP39 3.2 64.7 1.0 C A:GLY44 3.3 76.9 1.0 CA A:GLY45 3.5 85.0 1.0 CB A:THR41 3.5 75.1 1.0 N A:GLY45 3.6 78.7 1.0 C A:THR41 3.8 89.3 1.0 CA A:THR41 4.1 82.5 1.0 OD1 A:ASP47 4.3 83.5 1.0 OD1 A:ASN50 4.3 67.8 1.0 CZ A:PHE49 4.3 54.4 1.0 CA A:GLY44 4.3 74.2 1.0 N A:THR41 4.3 81.9 1.0 N A:GLY44 4.4 73.8 1.0 ND2 A:ASN50 4.6 57.8 1.0 C A:GLY45 4.7 81.5 1.0 CB A:ASP39 4.7 68.7 1.0 CG A:GLU55 4.7 65.9 1.0 CG A:ASP47 4.7 74.8 1.0 OD2 A:ASP47 4.8 75.9 1.0 CE1 A:PHE49 4.9 57.1 1.0 CG2 A:THR41 4.9 72.4 1.0 CG A:ASN50 4.9 60.9 1.0 NE2 A:HIS61 4.9 61.5 1.0 N A:ILE42 5.0 92.2 1.0

Calcium binding site 2 out of 3 in the Tubulin-Laulimalide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Tubulin-Laulimalide Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca505 b:0.0 occ:1.00 OD2 B:ASP120 3.9 49.5 1.0 OD1 B:ASP120 4.1 53.8 1.0 CG B:ASP120 4.4 44.5 1.0

Calcium binding site 3 out of 3 in the Tubulin-Laulimalide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Tubulin-Laulimalide Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca506 b:93.3 occ:1.00 OE1 B:GLU113 2.7 83.8 1.0 OE2 B:GLU113 2.9 75.8 1.0 CD B:GLU113 3.2 72.4 1.0 CG B:GLU113 4.7 54.7 1.0 OE1 B:GLU110 4.9 32.7 1.0 O B:HOH696 5.0 55.1 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