Calcium in PDB 3iov: Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C99

The structure of Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C99, PDB code: 3iov 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)	38.00 / 3.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	163.820, 101.190, 134.820, 90.00, 99.23, 90.00
R / Rfree (%)	26.4 / 28

The structure of Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C99 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 C99 (pdb code 3iov). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 7 binding sites of Calcium where determined in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C99, PDB code: 3iov:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7;

Calcium binding site 1 out of 7 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C99


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 C99 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:54.0 occ:1.00 OD2 A:ASP82 2.3 91.6 1.0 CG A:ASP82 2.9 90.5 1.0 OD1 A:ASP82 2.9 91.6 1.0 CB A:ALA84 3.7 89.6 1.0 CB A:ASP82 4.2 89.0 1.0 N A:PHE85 4.5 86.3 1.0 CA A:ALA84 4.7 89.0 1.0 C A:ALA84 4.9 87.9 1.0 N A:ALA84 5.0 89.9 1.0

Calcium binding site 2 out of 7 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C99


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 C99 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca504 b:58.7 occ:1.00 OD1 A:ASP30 2.3 85.2 1.0 NZ A:LYS26 2.5 80.2 1.0 CG A:ASP30 3.1 85.6 1.0 OD2 A:ASP30 3.2 85.3 1.0 CE A:LYS26 3.9 80.3 1.0 CB A:ASP30 4.6 86.0 1.0 CD A:LYS26 4.7 80.3 1.0

Calcium binding site 3 out of 7 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C99


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 C99 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca505 b:89.4 occ:1.00 OE2 A:GLU38 3.1 76.2 1.0 OE1 A:GLU38 3.2 76.4 1.0 CD A:GLU38 3.5 76.2 1.0 CB A:LYS1 4.4 82.8 1.0 NE1 A:TRP10 4.9 71.4 1.0

Calcium binding site 4 out of 7 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C99


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 C99 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca504 b:74.2 occ:1.00 OD1 B:ASP296 2.8 90.2 1.0 O B:ASP296 3.2 87.8 1.0 CG B:ASP296 4.0 89.7 1.0 NZ B:LYS297 4.0 92.2 1.0 C B:ASP296 4.1 87.4 1.0 CA B:ASP296 4.3 87.8 1.0 CB B:ASP296 4.8 88.4 1.0 OD2 B:ASP296 4.8 90.6 1.0

Calcium binding site 5 out of 7 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C99


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 C99 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca505 b:80.8 occ:1.00 OD2 B:ASP82 3.0 92.3 1.0 OD1 B:ASP82 3.0 92.3 1.0 CG B:ASP82 3.4 91.7 1.0 CB B:ALA84 4.0 92.2 1.0 NZ B:LYS88 4.5 86.7 1.0 N B:PHE85 4.6 89.3 1.0 CB B:PHE85 4.7 86.8 1.0 CB B:ASP82 4.8 91.2 1.0 C B:ALA84 5.0 90.9 1.0

Calcium binding site 6 out of 7 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C99


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 C99 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca502 b:96.9 occ:1.00 CE C:LYS256 4.2 78.0 1.0 NZ C:LYS256 4.3 78.1 1.0 NZ C:LYS326 5.0 93.4 1.0

Calcium binding site 7 out of 7 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C99


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C99 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca503 b:94.6 occ:1.00 OE2 C:GLU291 2.7 90.3 1.0 CD C:GLU291 3.4 89.8 1.0 OE1 C:GLU291 3.5 90.2 1.0 CG C:GLU288 4.3 90.5 1.0 OE2 C:GLU288 4.5 93.2 1.0 OE1 C:GLU310 4.6 95.2 1.0 CG C:GLU291 4.7 88.8 1.0 CD C:GLU288 4.9 92.8 1.0

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