Calcium in PDB 8a0l: Tubulin-CW1-Complex

The structure of Tubulin-CW1-Complex, PDB code: 8a0l was solved by A.E.Prota, J.F.Diaz, M.O.Steinmetz, M.A.Oliva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.51 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.63, 156.559, 179.318, 90, 90, 90
R / Rfree (%)	18.8 / 22.6

The structure of Tubulin-CW1-Complex also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Calcium atom in the Tubulin-CW1-Complex (pdb code 8a0l). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Tubulin-CW1-Complex, PDB code: 8a0l:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Tubulin-CW1-Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Tubulin-CW1-Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:70.2 occ:1.00 O A:GLY44 2.3 89.6 1.0 OD2 A:ASP39 2.4 68.9 1.0 O A:THR41 2.5 81.9 1.0 O A:HOH613 2.5 65.3 1.0 OD1 A:ASP39 2.5 70.8 1.0 OG1 A:THR41 2.6 66.6 1.0 OE1 A:GLU55 2.6 63.1 1.0 OE2 A:GLU55 2.6 61.4 1.0 CG A:ASP39 2.8 71.2 1.0 CD A:GLU55 3.0 63.2 1.0 C A:THR41 3.5 86.0 1.0 CB A:THR41 3.5 75.7 1.0 C A:GLY44 3.5 92.2 1.0 CA A:THR41 3.9 84.1 1.0 O A:HOH608 4.2 61.8 1.0 N A:THR41 4.2 84.3 1.0 CA A:GLY45 4.3 92.8 1.0 CB A:ASP39 4.3 74.7 1.0 N A:GLY44 4.3 88.7 1.0 N A:GLY45 4.4 96.0 1.0 CG A:GLU55 4.5 63.5 1.0 CZ A:PHE49 4.5 73.0 1.0 CA A:GLY44 4.6 91.0 1.0 OD2 A:ASP47 4.6 81.4 1.0 OD1 A:ASN50 4.6 68.0 1.0 N A:ILE42 4.7 89.0 1.0 NE2 A:HIS61 4.8 63.3 1.0 CG2 A:THR41 4.9 76.0 1.0

Calcium binding site 2 out of 4 in the Tubulin-CW1-Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Tubulin-CW1-Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca504 b:99.4 occ:1.00 O A:HOH700 2.6 96.5 1.0 O A:HOH673 3.3 63.8 1.0 OD2 E:ASP44 3.6 108.9 1.0 OG A:SER158 3.7 57.0 1.0 NZ A:LYS166 4.1 45.4 1.0 CB A:SER158 4.2 56.9 1.0 O A:GLY162 4.3 78.2 1.0 O A:GLU196 4.5 56.9 1.0 O A:HOH646 4.6 64.1 1.0 O A:HIS197 4.8 59.0 1.0 CG E:ASP44 4.8 106.1 1.0 CA A:HIS197 4.8 56.1 1.0 CA A:SER158 4.8 59.8 1.0

Calcium binding site 3 out of 4 in the Tubulin-CW1-Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Tubulin-CW1-Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca503 b:95.0 occ:1.00 OE1 B:GLU113 2.8 83.8 1.0 CD B:GLU113 3.7 80.1 1.0 OE2 B:GLU113 3.9 87.2 1.0 OE1 B:GLU110 4.3 47.7 1.0

Calcium binding site 4 out of 4 in the Tubulin-CW1-Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Tubulin-CW1-Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca503 b:55.6 occ:1.00 O C:THR41 2.4 61.6 1.0 OD2 C:ASP39 2.4 57.7 1.0 OE2 C:GLU55 2.5 52.4 1.0 OG1 C:THR41 2.5 51.4 1.0 O C:HOH624 2.5 47.6 1.0 OD1 C:ASP39 2.5 58.5 1.0 OE1 C:GLU55 2.5 46.2 1.0 O C:GLY44 2.5 59.7 1.0 CG C:ASP39 2.8 58.6 1.0 CD C:GLU55 2.8 50.8 1.0 C C:THR41 3.4 63.8 1.0 C C:GLY44 3.6 64.0 1.0 CB C:THR41 3.6 60.0 1.0 CA C:THR41 3.9 62.7 1.0 N C:THR41 4.1 60.4 1.0 CB C:ASP39 4.3 54.9 1.0 CG C:GLU55 4.3 48.6 1.0 N C:GLY45 4.3 62.3 1.0 CA C:GLY45 4.4 65.4 1.0 O C:HOH654 4.4 50.0 1.0 N C:GLY44 4.4 66.4 1.0 CA C:GLY44 4.5 67.0 1.0 OD2 C:ASP47 4.5 63.0 1.0 N C:ILE42 4.5 68.0 1.0 CZ C:PHE49 4.6 46.4 1.0 NE2 C:HIS61 4.6 46.0 1.0 OD1 C:ASN50 4.7 43.9 1.0 CG2 C:THR41 4.9 59.1 1.0 ND2 C:ASN50 4.9 44.3 1.0 CE1 C:PHE49 5.0 54.4 1.0

J.Estevez-Gallego, B.Alvarez-Bernad, B.Pera, C.Wullschleger, O.Raes, D.Menche, J.C.Martinez, D.Lucena-Agell, A.E.Prota, F.Bonato, K.Bargsten, J.Cornelus, J.F.Gimenez-Abian, P.Northcote, M.O.Steinmetz, S.Kamimura, K.H.Altmann, I.Paterson, F.Gago, J.Van Der Eycken, J.F.Diaz, M.A.Oliva. Chemical Modulation of Microtubule Structure Through the Laulimalide/Peloruside Site. Structure 2022.
ISSN: ISSN 0969-2126
PubMed: 36462501
DOI: 10.1016/J.STR.2022.11.006