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Calcium in PDB 7jfr: Auristatin Bound to Tubulin

Protein crystallography data

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

Other elements in 7jfr:

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

Magnesium (Mg) 5 atoms

Calcium Binding Sites:

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 7jfr

Go back to Calcium Binding Sites List in 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

Reference:

P.N.Moquist, A.Waight. Auristatin Bound to Tubulin To Be Published.
Page generated: Wed Jul 9 22:40:52 2025

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