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Calcium in PDB 3io6: Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C92-A

Protein crystallography data

The structure of Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C92-A, PDB code: 3io6 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) 38.67 / 3.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 163.401, 101.242, 138.190, 90.00, 92.00, 90.00
R / Rfree (%) 24.5 / 29.3

Other elements in 3io6:

The structure of Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C92-A also contains other interesting chemical elements:

Zinc (Zn) 5 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C92-A (pdb code 3io6). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 9 binding sites of Calcium where determined in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C92-A, PDB code: 3io6:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Calcium binding site 1 out of 9 in 3io6

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Calcium binding site 1 out of 9 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C92-A


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 C92-A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca451

b:0.9
occ:1.00
OD1 A:ASP30 2.1 80.0 1.0
NZ A:LYS26 2.4 80.0 1.0
NZ A:LYS29 2.4 80.0 1.0
CG A:ASP30 3.1 80.0 1.0
OD2 A:ASP30 3.3 80.0 1.0
CE A:LYS26 3.5 80.0 1.0
CE A:LYS29 3.6 80.0 1.0
CD A:LYS26 4.2 80.0 1.0
CB A:ASP30 4.5 80.0 1.0
CB A:LYS29 4.6 80.0 1.0
N A:ASP30 4.8 80.0 1.0
CD A:LYS29 4.8 80.0 1.0
CA A:ASP30 4.8 80.0 1.0
CG A:LYS29 4.9 80.0 1.0

Calcium binding site 2 out of 9 in 3io6

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Calcium binding site 2 out of 9 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C92-A


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 C92-A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca452

b:0.9
occ:1.00
OE1 A:GLU138 3.5 80.0 1.0
OE2 A:GLU138 4.1 80.0 1.0
CD A:GLU138 4.2 80.0 1.0

Calcium binding site 3 out of 9 in 3io6

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Calcium binding site 3 out of 9 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C92-A


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 C92-A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca453

b:0.9
occ:1.00
OE2 A:GLU288 2.3 80.0 1.0
CD A:GLU288 3.4 80.0 1.0
OE1 A:GLU288 3.7 80.0 1.0
OE1 A:GLU291 3.8 80.0 1.0
OD2 A:ASP287 4.5 80.0 1.0
CG A:GLU288 4.6 80.0 1.0
CD A:GLU291 4.7 80.0 1.0
OE2 A:GLU291 4.9 80.0 1.0

Calcium binding site 4 out of 9 in 3io6

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Calcium binding site 4 out of 9 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C92-A


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 C92-A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca452

b:0.9
occ:1.00
OD1 C:ASP82 3.1 80.0 1.0
OD2 C:ASP82 3.3 80.0 1.0
CG C:ASP82 3.5 80.0 1.0
OE1 C:GLU281 4.6 80.0 1.0
CB C:PHE85 4.9 80.0 1.0
CB C:ALA84 4.9 80.0 1.0
CB C:ASP82 5.0 80.0 1.0

Calcium binding site 5 out of 9 in 3io6

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Calcium binding site 5 out of 9 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C92-A


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 C92-A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca453

b:0.9
occ:1.00
OE1 C:GLU138 2.2 80.0 1.0
CD C:GLU138 3.1 80.0 1.0
OE2 C:GLU138 3.4 80.0 1.0
CG C:GLU138 4.4 80.0 1.0

Calcium binding site 6 out of 9 in 3io6

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Calcium binding site 6 out of 9 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C92-A


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 C92-A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca454

b:0.9
occ:1.00
NZ C:LYS256 3.9 80.0 1.0
O C:GLY327 4.5 80.0 1.0
CE C:LYS256 4.7 80.0 1.0
CG C:GLU328 4.9 80.0 1.0

Calcium binding site 7 out of 9 in 3io6

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Calcium binding site 7 out of 9 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C92-A


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 C92-A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca455

b:0.9
occ:1.00
OE1 C:GLU291 2.7 80.0 1.0
OE1 C:GLU310 3.7 80.0 1.0
CD C:GLU291 3.7 80.0 1.0
OE2 C:GLU291 4.3 80.0 1.0
CD C:GLU310 4.4 80.0 1.0
OE2 C:GLU288 4.4 80.0 0.2
OE2 C:GLU310 4.4 80.0 1.0
CG C:GLU291 4.8 80.0 1.0
OD2 C:ASP287 5.0 80.0 1.0

Calcium binding site 8 out of 9 in 3io6

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Calcium binding site 8 out of 9 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C92-A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C92-A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca452

b:0.9
occ:1.00
OD1 B:ASP82 3.1 80.0 1.0
OD2 B:ASP82 3.5 80.0 1.0
CG B:ASP82 3.7 80.0 1.0
CB B:ALA84 3.9 80.0 1.0
N B:PHE85 4.3 80.0 1.0
CB B:PHE85 4.5 80.0 1.0
C B:ALA84 4.8 80.0 1.0
CA B:PHE85 4.8 80.0 1.0
CA B:ALA84 4.9 80.0 1.0

Calcium binding site 9 out of 9 in 3io6

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Calcium binding site 9 out of 9 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C92-A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C92-A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca453

b:0.9
occ:1.00
OE1 B:GLU291 2.4 80.0 1.0
CD B:GLU291 3.3 80.0 1.0
OE2 B:GLU291 3.4 80.0 1.0
OE1 B:GLU288 3.6 80.0 1.0
OE2 B:GLU288 4.4 80.0 1.0
CD B:GLU288 4.5 80.0 1.0
CG B:GLU291 4.7 80.0 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: Sat Dec 12 04:15:46 2020

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