Calcium in PDB 7jfr: Auristatin Bound to Tubulin

The structure of Auristatin Bound to Tubulin, PDB code: 7jfr was solved by P.N.Moquist, A.Waight, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.74 / 2.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.491, 155.148, 181.885, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 25.6

The structure of Auristatin Bound to Tubulin also contains other interesting chemical elements:

Magnesium

(Mg)

5 atoms

The binding sites of Calcium atom in the Auristatin Bound to Tubulin (pdb code 7jfr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Auristatin Bound to Tubulin, PDB code: 7jfr:

Calcium binding site 1 out of 1 in the Auristatin Bound to Tubulin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Auristatin Bound to Tubulin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:1.0 occ:1.00 OG1 A:THR41 2.3 0.5 1.0 OE1 A:GLU55 2.3 0.1 1.0 OE2 A:GLU55 2.4 0.5 1.0 OD1 A:ASP39 2.4 0.5 1.0 OD2 A:ASP39 2.4 0.5 1.0 O A:THR41 2.4 1.0 1.0 CG A:ASP39 2.6 0.5 1.0 CD A:GLU55 2.6 0.3 1.0 HZ A:PHE49 3.1 0.1 1.0 C A:THR41 3.2 0.8 1.0 CB A:THR41 3.4 0.7 1.0 H A:THR41 3.5 0.6 1.0 HD21 A:ASN50 3.6 0.7 1.0 CA A:THR41 3.6 0.8 1.0 HE1 A:PHE49 3.6 0.9 1.0 HB A:THR41 3.8 0.4 1.0 NE2 A:HIS61 3.8 96.2 1.0 N A:THR41 3.8 0.7 1.0 CZ A:PHE49 3.9 92.6 1.0 CB A:ASP39 4.0 97.8 1.0 HB2 A:ASP39 4.1 0.3 1.0 CE1 A:PHE49 4.1 87.4 1.0 CG A:GLU55 4.1 0.3 1.0 N A:ILE42 4.2 1.0 1.0 HA A:ILE42 4.2 0.5 1.0 HA3 A:GLY45 4.2 0.8 1.0 HD2 A:HIS61 4.4 0.7 1.0 ND2 A:ASN50 4.4 84.8 1.0 HB3 A:ASP39 4.4 0.3 1.0 CD2 A:HIS61 4.5 97.2 1.0 HG2 A:GLU55 4.5 0.4 1.0 O A:GLY44 4.5 0.6 1.0 HG3 A:GLU55 4.6 0.4 1.0 HA A:THR41 4.6 0.8 1.0 CG2 A:THR41 4.6 0.8 1.0 CA A:ILE42 4.6 0.5 1.0 HG23 A:THR41 4.6 0.8 1.0 HB3 A:GLU55 4.6 0.9 1.0 C A:GLY44 4.7 0.6 1.0 OD1 A:ASP47 4.7 0.7 1.0 H A:LYS40 4.8 0.6 1.0 CE1 A:HIS61 4.8 89.8 1.0 H A:ILE42 4.8 0.8 1.0 H A:GLY44 4.8 0.3 1.0 HG21 A:THR41 4.9 0.8 1.0 N A:GLY45 4.9 0.3 1.0 C A:LYS40 4.9 0.7 1.0 OD1 A:ASN50 4.9 0.1 1.0 HE1 A:HIS61 4.9 0.8 1.0 N A:LYS40 5.0 0.3 1.0 HD22 A:ASN50 5.0 0.7 1.0 CA A:GLY45 5.0 0.4 1.0 CB A:GLU55 5.0 0.2 1.0

P.N.Moquist, A.Waight. Auristatin Bound to Tubulin To Be Published.