Zinc 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:

Calcium

(Ca)

6 atoms

The binding sites of Zinc 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 Zinc atom.
In total 8 binding sites of Zinc where determined in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C90, PDB code: 3io4:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C90


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 C90 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn450 b:0.3 occ:1.00 OD1 A:ASN201 2.3 0.6 1.0 CE1 A:HIS203 3.2 0.8 1.0 CG A:ASN201 3.4 0.3 1.0 NE2 A:HIS203 3.5 0.8 1.0 CB A:ASN201 4.0 0.2 1.0 ND1 A:HIS203 4.4 1.0 1.0 ND2 A:ASN201 4.5 0.3 1.0 CB A:PRO133 4.6 0.2 1.0 CD2 A:HIS203 4.8 0.9 1.0

Zinc binding site 2 out of 8 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C90


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 C90 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn451 b:0.3 occ:1.00 OE1 A:GLU291 2.9 0.0 1.0 OE2 A:GLU291 3.0 0.0 1.0 CD A:GLU291 3.3 0.2 1.0 OE1 A:GLU288 4.1 0.1 1.0 OE1 A:GLU310 4.7 1.0 1.0 CG A:GLU291 4.9 0.1 1.0

Zinc binding site 3 out of 8 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C90


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 C90 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn452 b:0.1 occ:1.00 O A:HIS39 2.7 0.9 1.0 ND1 A:HIS39 2.8 0.2 1.0 CE1 A:HIS39 3.0 0.6 1.0 OD2 A:ASP41 3.1 0.9 1.0 CG A:ASP41 3.7 0.7 1.0 CG A:HIS39 3.8 0.1 1.0 OD1 A:ASP41 3.8 0.9 1.0 C A:HIS39 3.9 0.9 1.0 NE2 A:HIS39 4.0 0.4 1.0 N A:ASP41 4.3 0.0 1.0 CD2 A:HIS39 4.4 0.0 1.0 CB A:HIS39 4.5 0.8 1.0 C A:PRO40 4.6 1.0 1.0 CA A:PRO40 4.7 0.9 1.0 CA A:GLY13 4.7 0.1 1.0 N A:PRO40 4.8 0.9 1.0 CA A:HIS39 4.9 0.9 1.0 CB A:ASP41 4.9 0.2 1.0 CA A:ASP41 4.9 0.2 1.0

Zinc binding site 4 out of 8 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C90


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 C90 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn450 b:0.9 occ:1.00 OE1 B:GLU310 2.3 0.2 1.0 OE2 B:GLU310 2.5 0.2 1.0 CD B:GLU310 2.7 0.2 1.0 CG B:GLU310 4.2 0.3 1.0 OE1 B:GLU291 4.6 0.9 1.0 OD2 B:ASP287 4.9 0.8 1.0

Zinc binding site 5 out of 8 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C90


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 C90 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn451 b:0.0 occ:1.00 CE1 B:HIS39 2.5 0.1 1.0 ND1 B:HIS39 2.6 0.6 1.0 O B:HIS39 2.8 0.1 1.0 NE2 B:HIS39 3.5 0.2 1.0 CG B:HIS39 3.5 0.3 1.0 C B:HIS39 4.0 0.1 1.0 CD2 B:HIS39 4.0 0.1 1.0 CB B:HIS39 4.5 0.0 1.0 N B:ASP41 4.6 0.1 1.0 CA B:HIS39 4.8 0.1 1.0 C B:PRO40 4.9 1.0 1.0 N B:PRO40 4.9 1.0 1.0 CA B:PRO40 4.9 0.9 1.0

Zinc binding site 6 out of 8 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C90


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 C90 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn452 b:0.3 occ:1.00 NE2 B:HIS203 2.3 0.1 1.0 CE1 B:HIS203 2.5 0.1 1.0 OD1 B:ASN201 2.6 0.7 1.0 CB B:PRO133 3.6 0.2 1.0 CD2 B:HIS203 3.6 0.9 1.0 CG B:ASN201 3.8 0.4 1.0 ND1 B:HIS203 3.8 0.2 1.0 O B:PRO133 4.2 0.2 1.0 CA B:PRO133 4.3 0.1 1.0 C B:PRO133 4.3 0.2 1.0 CG B:HIS203 4.4 0.1 1.0 CB B:ASN201 4.6 0.2 1.0 ND2 B:ASN201 4.6 0.4 1.0 CG B:PRO133 4.9 0.2 1.0 O B:ASN201 4.9 0.2 1.0

Zinc binding site 7 out of 8 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C90


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C90 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn450 b:0.8 occ:1.00 OD1 C:ASN201 2.7 0.8 1.0 CG C:ASN201 3.5 0.4 1.0 ND2 C:ASN201 4.1 0.5 1.0 CE C:LYS137 4.2 0.5 1.0 CB C:ASN201 4.4 0.2 1.0 CE1 C:HIS203 4.6 1.0 1.0 NZ C:LYS137 4.8 0.2 1.0 NE2 C:HIS203 4.9 0.7 1.0

Zinc binding site 8 out of 8 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C90


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C90 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn451 b:0.2 occ:1.00 O C:HIS39 2.6 1.0 1.0 ND1 C:HIS39 2.8 0.0 1.0 CE1 C:HIS39 3.7 0.3 1.0 CG C:HIS39 3.8 0.1 1.0 C C:HIS39 3.8 0.1 1.0 CB C:HIS39 4.0 0.1 1.0 OD2 C:ASP41 4.1 1.0 1.0 CA C:HIS39 4.5 0.1 1.0 NE2 C:HIS39 4.8 0.5 1.0 N C:PRO40 4.8 0.1 1.0 CD2 C:HIS39 4.9 0.9 1.0 N C:ASP41 4.9 0.2 1.0 CA C:PRO40 4.9 0.1 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