Calcium in PDB 4tv8: Tubulin-Maytansine Complex

The structure of Tubulin-Maytansine Complex, PDB code: 4tv8 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)	62.42 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	103.860, 155.570, 180.620, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 21.9

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

Magnesium	(Mg)	4 atoms
Chlorine	(Cl)	1 atom

The binding sites of Calcium atom in the Tubulin-Maytansine Complex (pdb code 4tv8). 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-Maytansine Complex, PDB code: 4tv8:
Jump to Calcium binding site number: 1; 2; 3; 4;

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Tubulin-Maytansine Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:85.5 occ:1.00 O A:GLY44 2.4 99.7 1.0 O A:THR41 2.4 94.7 1.0 OD2 A:ASP39 2.5 78.9 1.0 OE2 A:GLU55 2.5 80.5 1.0 OG1 A:THR41 2.5 77.3 1.0 OD1 A:ASP39 2.6 82.1 1.0 OE1 A:GLU55 2.8 87.2 1.0 CG A:ASP39 2.9 81.0 1.0 CD A:GLU55 3.0 84.6 1.0 C A:THR41 3.5 95.1 1.0 C A:GLY44 3.5 99.5 1.0 CB A:THR41 3.5 87.0 1.0 CA A:THR41 3.9 93.1 1.0 CA A:GLY45 4.2 99.5 1.0 N A:GLY45 4.2 99.7 1.0 N A:THR41 4.3 96.0 1.0 N A:GLY44 4.3 95.2 1.0 CB A:ASP39 4.4 83.5 1.0 CZ A:PHE49 4.4 77.4 1.0 CA A:GLY44 4.5 97.5 1.0 CG A:GLU55 4.5 84.7 1.0 OD1 A:ASN50 4.5 80.0 1.0 NE2 A:HIS61 4.6 80.5 1.0 N A:ILE42 4.7 97.7 1.0 CG2 A:THR41 4.8 82.4 1.0 ND2 A:ASN50 4.9 75.1 1.0 CE1 A:PHE49 4.9 78.1 1.0

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Tubulin-Maytansine Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca503 b:0.8 occ:1.00 O B:HOH602 2.5 66.6 1.0 OE2 B:GLU113 2.7 81.9 1.0 OE1 B:GLU113 3.3 83.9 1.0 CD B:GLU113 3.4 77.8 1.0 OE1 B:GLU110 4.8 49.1 1.0 CG B:GLU113 4.9 66.5 1.0

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Tubulin-Maytansine Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca504 b:0.8 occ:1.00 OD2 B:ASP120 3.9 69.8 1.0 OD1 B:ASP120 4.3 70.7 1.0 CG B:ASP120 4.5 65.5 1.0 CB B:ASP116 4.5 57.3 1.0 OD2 B:ASP116 4.8 74.6 1.0

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Tubulin-Maytansine Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca504 b:67.8 occ:1.00 OE1 C:GLU55 2.4 58.7 1.0 OE2 C:GLU55 2.5 61.5 1.0 O C:THR41 2.5 68.4 1.0 OD2 C:ASP39 2.5 63.8 1.0 OG1 C:THR41 2.5 64.6 1.0 O C:GLY44 2.6 74.9 1.0 O C:HOH815 2.6 65.1 1.0 OD1 C:ASP39 2.6 61.6 1.0 CD C:GLU55 2.8 58.1 1.0 CG C:ASP39 2.9 62.8 1.0 C C:THR41 3.4 69.9 1.0 CB C:THR41 3.4 65.7 1.0 C C:GLY44 3.6 77.3 1.0 CA C:THR41 3.9 69.1 1.0 O C:HOH743 4.2 56.3 1.0 CG C:GLU55 4.3 51.1 1.0 CA C:GLY45 4.3 74.0 1.0 N C:GLY45 4.3 76.1 1.0 N C:THR41 4.3 70.1 1.0 CB C:ASP39 4.4 65.2 1.0 N C:ILE42 4.4 73.5 1.0 NE2 C:HIS61 4.5 50.5 1.0 CA C:GLY44 4.5 78.5 1.0 N C:GLY44 4.5 80.3 1.0 CZ C:PHE49 4.5 51.1 1.0 OD1 C:ASN50 4.5 49.0 1.0 OD2 C:ASP47 4.6 74.8 1.0 CE1 C:PHE49 4.8 52.2 1.0 CG2 C:THR41 4.8 64.3 1.0 ND2 C:ASN50 4.8 47.0 1.0 CA C:ILE42 4.9 74.9 1.0 O C:HOH741 4.9 65.8 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