Calcium in PDB 4i55: Crystal Structure of Tubulin-Stathmin-Ttl Complex

The structure of Crystal Structure of Tubulin-Stathmin-Ttl Complex, PDB code: 4i55 was solved by A.E.Prota, K.Bargsten, D.Zurwerra, J.J.Field, J.F.Diaz, 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)	71.84 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.160, 156.470, 181.490, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 20.8

The structure of Crystal Structure of Tubulin-Stathmin-Ttl Complex also contains other interesting chemical elements:

Magnesium	(Mg)	7 atoms
Chlorine	(Cl)	1 atom

The binding sites of Calcium atom in the Crystal Structure of Tubulin-Stathmin-Ttl Complex (pdb code 4i55). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of Tubulin-Stathmin-Ttl Complex, PDB code: 4i55:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of Tubulin-Stathmin-Ttl Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Tubulin-Stathmin-Ttl Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:60.8 occ:1.00 HG1 A:THR41 2.1 71.1 1.0 O A:THR41 2.4 81.7 1.0 O A:GLY44 2.5 74.7 1.0 O A:HOH671 2.6 44.0 1.0 OE2 A:GLU55 2.6 62.9 1.0 OD2 A:ASP39 2.6 70.1 1.0 OD1 A:ASP39 2.6 70.0 1.0 OE1 A:GLU55 2.7 63.2 1.0 OG1 A:THR41 2.9 59.3 1.0 CD A:GLU55 3.0 66.3 1.0 CG A:ASP39 3.0 66.6 1.0 H A:GLY44 3.4 98.5 1.0 C A:GLY44 3.4 78.0 1.0 HA3 A:GLY45 3.5 81.5 1.0 C A:THR41 3.5 83.9 1.0 HZ A:PHE49 3.5 65.9 1.0 HB A:THR41 3.8 68.5 1.0 CB A:THR41 3.8 57.1 1.0 H A:THR41 4.0 86.0 1.0 HE2 A:HIS61 4.0 76.9 1.0 CA A:THR41 4.0 81.4 1.0 HD22 A:ASN50 4.1 70.5 1.0 N A:GLY44 4.2 82.0 1.0 N A:GLY45 4.2 73.5 1.0 CA A:GLY45 4.3 67.9 1.0 O A:HOH720 4.3 61.2 1.0 N A:THR41 4.3 71.7 1.0 CA A:GLY44 4.3 81.3 1.0 CZ A:PHE49 4.4 54.9 1.0 CG A:GLU55 4.4 66.3 1.0 CB A:ASP39 4.5 70.2 1.0 OD1 A:ASP47 4.5 66.4 1.0 HA A:ILE42 4.6 94.7 1.0 HE1 A:PHE49 4.6 66.3 1.0 OD1 A:ASN50 4.6 63.8 1.0 HA2 A:GLY44 4.6 97.5 1.0 HG3 A:GLU55 4.7 79.5 1.0 N A:ILE42 4.7 80.9 1.0 H A:GLY43 4.7 73.0 1.0 HA2 A:GLY45 4.7 81.5 1.0 NE2 A:HIS61 4.7 64.1 1.0 HB2 A:ASP39 4.8 84.2 1.0 HB3 A:ASP39 4.9 84.2 1.0 ND2 A:ASN50 4.9 58.8 1.0 HG2 A:GLU55 4.9 79.5 1.0 CE1 A:PHE49 4.9 55.3 1.0 H A:GLY45 5.0 88.2 1.0 N A:GLY43 5.0 60.9 1.0 HA A:THR41 5.0 97.6 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of Tubulin-Stathmin-Ttl Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Tubulin-Stathmin-Ttl Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca505 b:95.8 occ:1.00 O A:HOH747 2.7 78.3 1.0 O A:HOH750 3.0 68.8 1.0 O A:HOH749 3.0 66.6 1.0 O A:HOH658 3.2 49.2 1.0 OD2 E:ASP44 3.6 82.0 1.0 O A:HOH748 3.9 55.8 1.0 HZ3 A:LYS166 3.9 60.7 1.0 HA A:HIS197 4.0 54.4 1.0 HG A:SER158 4.2 55.3 1.0 OG A:SER158 4.3 46.1 1.0 HZ1 A:LYS166 4.3 60.7 1.0 O A:GLU196 4.3 54.3 1.0 HB3 A:SER158 4.3 56.6 1.0 NZ A:LYS166 4.5 50.5 1.0 O A:GLY162 4.5 65.9 1.0 OD2 A:ASP199 4.6 48.6 1.0 HZ2 A:LYS166 4.6 60.7 1.0 CG E:ASP44 4.7 81.9 1.0 CB A:SER158 4.8 47.1 1.0 CA A:HIS197 4.9 45.3 1.0 O A:HIS197 4.9 46.1 1.0 HA A:SER158 4.9 56.7 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Tubulin-Stathmin-Ttl Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Tubulin-Stathmin-Ttl Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca503 b:91.6 occ:1.00 O B:HOH656 2.6 43.5 1.0 O B:HOH678 2.7 49.6 1.0 OE2 B:GLU113 2.7 71.6 1.0 O B:HOH677 2.8 55.2 1.0 OE1 B:GLU113 3.2 74.2 1.0 CD B:GLU113 3.3 65.2 1.0 CG B:GLU113 4.8 52.4 1.0 OE1 B:GLU110 5.0 35.4 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of Tubulin-Stathmin-Ttl Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Tubulin-Stathmin-Ttl Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca503 b:55.5 occ:1.00 O C:THR41 2.4 51.5 1.0 O C:HOH754 2.5 42.3 1.0 OD2 C:ASP39 2.6 49.8 1.0 O C:GLY44 2.6 64.1 1.0 OG1 C:THR41 2.6 47.8 1.0 OE2 C:GLU55 2.6 51.2 1.0 OE1 C:GLU55 2.6 41.9 1.0 OD1 C:ASP39 2.7 48.2 1.0 CD C:GLU55 2.9 47.4 1.0 CG C:ASP39 3.0 53.3 1.0 C C:THR41 3.4 56.8 1.0 HA3 C:GLY45 3.6 72.1 1.0 CB C:THR41 3.6 56.4 1.0 C C:GLY44 3.6 69.3 1.0 HZ C:PHE49 3.7 48.8 1.0 H C:THR41 3.7 60.1 1.0 HB C:THR41 3.8 67.7 1.0 CA C:THR41 3.9 52.9 1.0 H C:GLY44 3.9 82.2 1.0 HE2 C:HIS61 3.9 47.2 1.0 N C:THR41 4.1 50.1 1.0 O C:HOH614 4.2 40.7 1.0 HE1 C:PHE49 4.3 46.3 1.0 HD22 C:ASN50 4.3 45.4 1.0 OD1 C:ASP47 4.4 59.0 1.0 N C:GLY45 4.4 54.8 1.0 CA C:GLY45 4.4 60.1 1.0 CG C:GLU55 4.4 45.1 1.0 CB C:ASP39 4.5 55.1 1.0 CZ C:PHE49 4.5 40.6 1.0 N C:GLY44 4.5 68.5 1.0 N C:ILE42 4.5 56.0 1.0 HA C:ILE42 4.6 70.6 1.0 CA C:GLY44 4.6 71.9 1.0 OD1 C:ASN50 4.6 39.7 1.0 NE2 C:HIS61 4.6 39.3 1.0 CE1 C:PHE49 4.8 38.6 1.0 HG2 C:GLU55 4.8 54.1 1.0 HA C:THR41 4.8 63.5 1.0 HB3 C:ASP39 4.8 66.2 1.0 HG3 C:GLU55 4.8 54.1 1.0 HA2 C:GLY44 4.8 86.3 1.0 HB2 C:ASP39 4.9 66.2 1.0 HA2 C:GLY45 4.9 72.1 1.0 CG2 C:THR41 4.9 42.1 1.0 CA C:ILE42 5.0 58.8 1.0

A.E.Prota, K.Bargsten, D.Zurwerra, J.J.Field, J.F.Diaz, K.H.Altmann, M.O.Steinmetz. Molecular Mechanism of Action of Microtubule-Stabilizing Anticancer Agents. Science V. 339 587 2013.
ISSN: ISSN 0036-8075
PubMed: 23287720
DOI: 10.1126/SCIENCE.1230582