Calcium in PDB 3io4: Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C90

The structure of Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C90, PDB code: 3io4 was solved by M.W.Kim, Y.Chelliah, S.W.Kim, Z.Otwinowski, I.Bezprozvanny, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.42 / 3.63
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	162.950, 101.210, 142.050, 90.00, 90.42, 90.00
R / Rfree (%)	25.1 / 30.4

The structure of Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C90 also contains other interesting chemical elements:

Zinc

(Zn)

8 atoms

The binding sites of Calcium atom in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C90 (pdb code 3io4). 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 C90, PDB code: 3io4:
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 C90


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 C90 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca453 b:0.0 occ:1.00 OE2 B:GLU153 4.1 0.4 1.0 NH1 B:ARG344 4.6 0.1 1.0

Calcium binding site 2 out of 6 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C90


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 C90 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca454 b:0.9 occ:1.00 OD1 B:ASN185 2.7 0.3 0.5 ND2 B:ASN185 3.1 0.2 0.5 CG B:ASN185 3.2 1.0 0.5 O B:VAL181 4.6 0.1 1.0 CB B:ASN185 4.7 0.9 0.5 CB B:ASN185 4.7 0.2 0.5 O B:ASP184 4.9 0.2 1.0 OD2 B:ASP184 4.9 0.5 1.0

Calcium binding site 3 out of 6 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C90


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 C90 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca455 b:0.5 occ:1.00 OD2 B:ASP209 3.1 0.6 1.0 CG B:ASP209 4.1 0.5 1.0 OD1 B:ASP209 4.4 0.6 1.0

Calcium binding site 4 out of 6 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C90


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 C90 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca452 b:0.2 occ:1.00 OE2 C:GLU4 4.3 0.1 1.0 OE1 C:GLU4 4.4 0.5 1.0 CD C:GLU4 4.7 0.2 1.0 O C:PRO271 4.8 0.2 1.0

Calcium binding site 5 out of 6 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C90


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 C90 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca453 b:0.2 occ:1.00 N C:GLU322 3.3 0.9 1.0 O C:ALA318 3.3 0.1 1.0 CA C:GLU322 3.6 0.0 1.0 CB C:GLU322 3.8 0.0 1.0 CG C:MET321 3.8 0.1 1.0 CB C:MET321 3.9 0.1 1.0 C C:MET321 4.0 0.9 1.0 CG C:GLU322 4.2 0.2 1.0 NE2 C:GLN325 4.3 0.1 1.0 C C:ALA318 4.3 0.1 1.0 CD C:GLN325 4.5 0.0 1.0 OE1 C:GLN325 4.5 0.2 1.0 O C:MET321 4.5 0.9 1.0 CA C:MET321 4.6 1.0 1.0 CA C:ALA318 4.6 0.1 1.0 CB C:ALA318 5.0 0.1 1.0

Calcium binding site 6 out of 6 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C90


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 C90 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca454 b:1.0 occ:1.00 OE1 C:GLU382 2.6 0.4 0.7 CD C:GLU382 3.6 0.8 0.7 OE2 C:GLU382 4.1 0.7 0.7 CE C:MET378 4.8 0.5 0.7 CG C:GLU382 4.9 0.4 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