Zinc 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:

Calcium

(Ca)

6 atoms

The binding sites of Zinc 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 Zinc atom.
In total 6 binding sites of Zinc where determined in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C95, PDB code: 3ior:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc 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 Zinc with other atoms in the Zn 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:Zn450 b:0.9 occ:1.00 CE1 A:HIS203 2.8 67.0 1.0 NE2 A:HIS203 3.3 67.3 1.0 ND1 A:HIS203 4.0 67.4 1.0 OD1 A:ASN201 4.3 70.0 1.0 CB A:ASN201 4.4 67.2 1.0 CG A:ASN201 4.5 68.7 1.0 CD2 A:HIS203 4.6 67.7 1.0 CG A:HIS203 5.0 67.5 1.0

Zinc 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 Zinc with other atoms in the Zn 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 A:Zn451 b:54.2 occ:0.70 CE1 A:HIS39 2.5 51.5 1.0 O A:HIS39 2.5 59.5 1.0 ND1 A:HIS39 2.7 52.5 1.0 NE2 A:HIS39 3.1 51.4 1.0 CG A:HIS39 3.5 54.3 1.0 CD2 A:HIS39 3.7 52.4 1.0 C A:HIS39 3.8 59.3 1.0 C A:PRO40 4.3 60.9 1.0 CA A:PRO40 4.5 60.4 1.0 CB A:HIS39 4.5 57.2 1.0 N A:ASP41 4.5 61.5 1.0 O A:PRO40 4.6 60.9 1.0 N A:PRO40 4.6 60.0 1.0 CA A:HIS39 4.7 58.1 1.0 CA A:GLY13 4.8 50.9 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn450 b:54.4 occ:1.00 O B:HIS39 2.5 42.6 1.0 C B:HIS39 3.7 42.5 1.0 ND1 B:HIS39 3.7 35.4 1.0 CB B:HIS39 4.0 39.9 1.0 CG B:HIS39 4.3 37.4 1.0 CA B:HIS39 4.5 40.7 1.0 N B:PRO40 4.7 44.2 1.0 CA B:PRO40 4.8 46.0 1.0 CE1 B:HIS39 4.8 34.6 1.0 C B:PRO40 4.9 48.2 1.0

Zinc 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 Zinc with other atoms in the Zn 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 B:Zn451 b:93.4 occ:1.00 OE2 B:GLU291 3.0 67.4 1.0 OE1 B:GLU310 3.1 69.4 1.0 OE1 B:GLU291 3.7 67.0 1.0 CD B:GLU291 3.7 65.8 1.0 OE2 B:GLU288 3.8 73.0 1.0 CD B:GLU310 4.2 67.8 1.0 OE2 B:GLU310 4.7 69.2 1.0

Zinc 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 Zinc with other atoms in the Zn 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 B:Zn452 b:92.1 occ:1.00 CE1 B:HIS203 2.8 70.4 1.0 NE2 B:HIS203 3.0 70.4 1.0 OD1 B:ASN201 3.0 72.0 1.0 NZ B:LYS137 3.2 71.9 1.0 CG B:ASN201 3.7 72.9 1.0 CB B:ASN201 3.9 74.0 1.0 ND1 B:HIS203 4.0 71.1 1.0 CE B:LYS137 4.2 72.3 1.0 CD2 B:HIS203 4.3 71.0 1.0 CB B:PRO133 4.4 69.4 1.0 CG B:HIS203 4.8 72.5 1.0 O B:ASN201 4.9 74.1 1.0 ND2 B:ASN201 4.9 71.3 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn450 b:16.1 occ:0.30 CE1 C:HIS203 2.7 67.7 1.0 NE2 C:HIS203 3.4 67.9 1.0 ND1 C:HIS203 3.8 67.8 1.0 OD1 C:ASN201 3.8 68.6 1.0 CB C:ASN201 4.2 64.7 1.0 CG C:ASN201 4.2 66.4 1.0 CB C:PRO133 4.2 55.5 1.0 CD2 C:HIS203 4.7 68.0 1.0 CG C:HIS203 4.9 67.3 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