Calcium in PDB 3ior: Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C95

The structure of Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C95, PDB code: 3ior was solved by M.W.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.36 / 3.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	163.080, 100.980, 137.860, 90.00, 95.14, 90.00
R / Rfree (%)	25.8 / 26.7

The structure of Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C95 also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

The binding sites of Calcium atom in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C95 (pdb code 3ior). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C95, PDB code: 3ior:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C95


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C95 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca452 b:69.0 occ:1.00 OE2 A:GLU38 2.7 57.5 1.0 OE1 A:GLU38 3.0 57.6 1.0 CD A:GLU38 3.3 57.6 1.0 CB A:LYS1 3.8 99.8 1.0 N A:LYS1 4.3 99.7 1.0 CA A:LYS1 4.6 99.7 1.0 CG A:GLU38 4.8 57.6 1.0 NE1 A:TRP10 4.9 55.4 1.0

Calcium binding site 2 out of 6 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C95


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C95 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca453 b:64.1 occ:1.00 OE2 B:GLU38 3.0 42.8 1.0 OE1 B:GLU38 3.4 42.7 1.0 CD B:GLU38 3.6 43.7 1.0

Calcium binding site 3 out of 6 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C95


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C95 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca454 b:75.1 occ:1.00 CG B:PRO418 3.5 49.5 0.5 CD C:GLU153 3.9 66.7 1.0 CG C:GLU153 4.0 60.3 1.0 OE2 C:GLU153 4.0 68.2 1.0 CB B:PRO418 4.2 49.5 0.5 OE1 C:GLU153 4.3 68.9 1.0 CD B:PRO418 4.6 49.5 0.5 CB C:TYR155 4.6 50.5 1.0 CE1 C:PHE156 4.7 50.8 1.0 CD2 C:TYR155 4.7 53.6 1.0 CG C:TYR155 4.8 52.3 1.0

Calcium binding site 4 out of 6 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C95


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C95 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca451 b:0.3 occ:1.00 OE2 C:GLU38 2.5 86.1 1.0 CD C:GLU38 3.2 86.5 1.0 OE1 C:GLU38 3.3 86.3 1.0 CG C:GLU38 4.6 85.1 1.0

Calcium binding site 5 out of 6 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C95


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C95 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca452 b:78.2 occ:1.00 OE1 C:GLU310 3.4 71.5 1.0 OE1 C:GLU291 3.5 69.6 1.0 OE2 C:GLU291 3.7 70.2 1.0 CD C:GLU291 3.9 70.3 1.0 CD C:GLU310 4.4 71.2 1.0 OE2 C:GLU310 4.5 71.8 1.0

Calcium binding site 6 out of 6 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C95


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C95 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca453 b:74.7 occ:1.00 OE2 C:GLU382 2.8 49.8 0.7 OE1 C:GLU382 3.3 49.7 0.7 CD C:GLU382 3.4 49.6 0.7 CD C:LYS379 4.4 51.1 0.7 CG C:LYS379 4.8 50.6 0.7 CG C:GLU382 4.9 49.6 0.7

M.W.Kim, Y.Chelliah, S.W.Kim, Z.Otwinowski, I.Bezprozvanny. Secondary Structure of Huntingtin Amino-Terminal Region. Structure V. 17 1205 2009.
ISSN: ISSN 0969-2126
PubMed: 19748341
DOI: 10.1016/J.STR.2009.08.002