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

Protein crystallography data

The structure of Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C92-B, PDB code: 3iot 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 / 3.50
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 163.250, 101.360, 137.030, 90.00, 91.83, 90.00
R / Rfree (%) 24.7 / 29.5

Other elements in 3iot:

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

Zinc (Zn) 9 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C92-B (pdb code 3iot). 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-B, PDB code: 3iot:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Calcium binding site 1 out of 9 in 3iot

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


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-B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca504

b:69.4
occ:1.00
 OD2 A:ASP82 2.7 55.2 1.0
OD1 A:ASP82 2.8 55.4 1.0
CG A:ASP82 3.1 55.3 1.0
CB A:ALA84 3.2 55.4 1.0
N A:PHE85 3.6 55.3 1.0
CB A:PHE85 4.1 55.3 1.0
C A:ALA84 4.2 55.3 1.0
CA A:ALA84 4.2 55.4 1.0
CA A:PHE85 4.3 55.3 1.0
CB A:ASP82 4.6 55.3 1.0
N A:ALA84 4.7 55.4 1.0

Calcium binding site 2 out of 9 in 3iot

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


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-B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca505

b:32.2
occ:1.00
 O A:ASP30 4.4 55.6 1.0
OH A:TYR283 4.5 55.3 1.0
OE2 A:GLU278 4.8 55.4 0.5
CG2 A:THR31 5.0 54.9 1.0

Calcium binding site 3 out of 9 in 3iot

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


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-B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca506

b:62.7
occ:1.00
 O A:GLY327 4.2 55.3 1.0

Calcium binding site 4 out of 9 in 3iot

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


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-B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca507

b:87.8
occ:1.00
 OE1 A:GLN325 2.9 55.4 1.0
CD A:GLN325 3.5 55.4 1.0
NE2 A:GLN325 3.7 55.3 1.0
CG A:GLN325 4.9 55.3 1.0

Calcium binding site 5 out of 9 in 3iot

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


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-B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca508

b:80.5
occ:1.00
 OE1 A:GLU288 2.4 55.5 1.0
CD A:GLU288 3.2 55.5 1.0
OE2 A:GLU288 3.4 55.4 1.0
OE1 A:GLU291 4.5 55.4 1.0
CG A:GLU288 4.7 55.5 1.0
OE2 A:GLU291 4.8 55.3 1.0
CD A:GLU291 5.0 55.4 1.0

Calcium binding site 6 out of 9 in 3iot

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


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-B within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca504

b:70.9
occ:1.00
 OD2 B:ASP82 3.0 55.3 1.0
OD1 B:ASP82 3.2 55.4 1.0
CG B:ASP82 3.3 55.3 1.0
CB B:ASP82 4.6 55.3 1.0
CB B:ALA84 4.8 55.4 1.0

Calcium binding site 7 out of 9 in 3iot

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


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-B within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca505

b:86.1
occ:1.00
 O B:GLY327 4.1 55.3 1.0
CE B:LYS256 4.6 55.6 1.0

Calcium binding site 8 out of 9 in 3iot

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


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-B within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca504

b:96.1
occ:1.00
 NZ C:LYS256 3.3 55.2 1.0
O C:GLY327 4.1 55.3 1.0
CD C:GLU328 4.2 55.5 1.0
OE2 C:GLU328 4.3 55.5 1.0
OE1 C:GLU328 4.3 55.6 1.0
CE C:LYS256 4.3 55.2 1.0
CG C:GLU328 4.5 55.4 1.0
CD C:LYS256 4.6 54.9 1.0

Calcium binding site 9 out of 9 in 3iot

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


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-B within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca505

b:75.0
occ:1.00
 OD2 C:ASP82 3.3 55.3 1.0
OD1 C:ASP82 3.4 55.4 1.0
CG C:ASP82 3.5 55.3 1.0
CB C:ASP82 4.6 55.3 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 Jul 13 11:42:01 2024

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