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Zinc in PDB 3iou: Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C94

Protein crystallography data

The structure of Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C94, PDB code: 3iou 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) 40.00 / 3.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 160.791, 99.788, 140.504, 90.00, 94.24, 90.00
R / Rfree (%) 27.2 / 29.9

Other elements in 3iou:

The structure of Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C94 also contains other interesting chemical elements:

Calcium (Ca) 5 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C94 (pdb code 3iou). 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 C94, PDB code: 3iou:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in 3iou

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Zinc binding site 1 out of 8 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C94


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 C94 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn450

b:97.8
occ:0.50
OE2 A:GLU291 3.0 69.8 1.0
CD A:GLU291 3.9 69.8 1.0
ZN A:ZN453 4.1 88.8 0.5
OE1 A:GLU291 4.1 69.9 1.0
OE2 A:GLU288 4.3 69.9 1.0
OE2 A:GLU310 4.4 70.0 1.0
CD A:GLU288 4.9 69.9 1.0
OE1 A:GLU310 4.9 70.1 1.0
CD A:GLU310 4.9 70.0 1.0

Zinc binding site 2 out of 8 in 3iou

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Zinc binding site 2 out of 8 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C94


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 C94 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn451

b:0.0
occ:1.00
CE1 A:HIS203 2.8 69.9 1.0
OD1 A:ASN201 3.0 69.9 1.0
CG A:ASN201 3.5 69.9 1.0
ND1 A:HIS203 3.7 69.9 1.0
NE2 A:HIS203 3.8 70.0 1.0
CB A:ASN201 3.9 69.9 1.0
ND2 A:ASN201 4.4 69.9 1.0
CB A:PRO133 4.4 69.9 1.0
CD A:LYS137 4.6 69.9 1.0
O A:ASN201 4.6 69.9 1.0
CG A:HIS203 4.9 69.9 1.0
CD2 A:HIS203 5.0 70.0 1.0

Zinc binding site 3 out of 8 in 3iou

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Zinc binding site 3 out of 8 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C94


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 C94 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn452

b:92.4
occ:1.00
O A:HIS39 2.4 69.8 1.0
ND1 A:HIS39 2.5 70.1 1.0
CG A:HIS39 2.9 69.9 1.0
CE1 A:HIS39 3.0 70.1 1.0
C A:HIS39 3.4 69.9 1.0
CB A:HIS39 3.4 69.8 1.0
CD2 A:HIS39 3.5 70.0 1.0
NE2 A:HIS39 3.6 70.1 1.0
CA A:HIS39 4.0 69.8 1.0
N A:ASP41 4.0 69.9 1.0
CA A:GLY13 4.2 69.9 1.0
N A:PRO40 4.4 69.9 1.0
N A:GLY13 4.6 69.9 1.0
CA A:ASP41 4.7 69.9 1.0
C A:PRO40 4.7 69.9 1.0
CA A:PRO40 4.8 69.9 1.0

Zinc binding site 4 out of 8 in 3iou

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Zinc binding site 4 out of 8 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C94


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 C94 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn453

b:88.8
occ:0.50
OD2 A:ASP287 2.6 69.9 1.0
OE1 A:GLU310 3.0 70.1 1.0
CG A:ASP287 3.2 69.9 1.0
OD1 A:ASP287 3.3 70.0 1.0
CD A:GLU310 4.0 70.0 1.0
OE1 A:GLU291 4.1 69.9 1.0
ZN A:ZN450 4.1 97.8 0.5
CB A:ASP287 4.4 69.9 1.0
OE2 A:GLU310 4.5 70.0 1.0
CD A:GLU291 4.9 69.8 1.0
OE2 A:GLU291 4.9 69.8 1.0

Zinc binding site 5 out of 8 in 3iou

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Zinc binding site 5 out of 8 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C94


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 C94 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn450

b:86.2
occ:0.50
ND1 B:HIS39 2.4 69.9 1.0
CE1 B:HIS39 2.4 69.8 1.0
O B:HIS39 2.5 69.9 1.0
NE2 B:HIS39 3.3 69.9 1.0
CG B:HIS39 3.4 69.9 1.0
C B:HIS39 3.8 69.9 1.0
CD2 B:HIS39 3.9 69.8 1.0
CB B:HIS39 4.3 69.9 1.0
C B:PRO40 4.4 69.9 1.0
N B:ASP41 4.6 69.9 1.0
CA B:PRO40 4.6 69.9 1.0
N B:PRO40 4.7 69.9 1.0
CA B:HIS39 4.7 69.9 1.0
O B:PRO40 4.7 69.8 1.0
CA B:GLY13 4.8 69.9 1.0

Zinc binding site 6 out of 8 in 3iou

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Zinc binding site 6 out of 8 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C94


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 C94 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn451

b:0.0
occ:1.00
CE1 B:HIS203 2.9 69.9 1.0
NE2 B:HIS203 3.6 69.9 1.0
OD1 B:ASN201 3.6 69.9 1.0
CB B:PRO133 3.8 69.9 1.0
ND1 B:HIS203 4.0 69.9 1.0
CB B:ASN201 4.3 69.9 1.0
CG B:ASN201 4.4 69.9 1.0
CG B:PRO133 4.6 69.9 1.0
O B:ASN201 4.9 69.9 1.0
CD2 B:HIS203 4.9 69.8 1.0
CA B:PRO133 5.0 69.9 1.0

Zinc binding site 7 out of 8 in 3iou

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Zinc binding site 7 out of 8 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C94


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 C94 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn452

b:0.0
occ:1.00
OE1 B:GLU291 2.7 69.8 1.0
OE2 B:GLU288 2.7 70.0 1.0
OE2 B:GLU310 3.4 69.7 1.0
CD B:GLU288 3.4 69.9 1.0
CD B:GLU291 3.5 69.8 1.0
OE1 B:GLU288 3.5 69.8 1.0
OE1 B:GLU310 3.7 69.8 1.0
OE2 B:GLU291 4.0 69.7 1.0
CD B:GLU310 4.0 69.8 1.0
OH B:TYR307 4.3 69.7 1.0
CE1 B:TYR307 4.3 70.0 1.0
CG B:GLU291 4.4 69.9 1.0
CB B:GLU291 4.7 69.9 1.0
CG B:GLU288 4.8 69.9 1.0
CZ B:TYR307 4.8 69.9 1.0

Zinc binding site 8 out of 8 in 3iou

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Zinc binding site 8 out of 8 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C94


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 C94 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn450

b:92.9
occ:0.70
CE1 C:HIS203 2.7 69.9 1.0
NE2 C:HIS203 3.4 69.9 1.0
OD1 C:ASN201 3.7 69.8 1.0
ND1 C:HIS203 3.9 69.9 1.0
CB C:PRO133 4.0 69.9 1.0
CB C:ASN201 4.1 69.9 1.0
CG C:ASN201 4.1 69.9 1.0
CD2 C:HIS203 4.7 69.8 1.0
CG C:HIS203 4.9 69.8 1.0
CG C:PRO133 5.0 69.9 1.0

Reference:

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
Page generated: Wed Dec 16 04:26:46 2020

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