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Calcium 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:

Zinc (Zn) 8 atoms

Calcium Binding Sites:

The binding sites of Calcium 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 Calcium atom.
In total 5 binding sites of Calcium where determined in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C94, PDB code: 3iou:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in 3iou

Go back to Calcium Binding Sites List in 3iou
Calcium binding site 1 out of 5 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C94


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 C94 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca454

b:96.0
occ:1.00
NZ A:LYS1 2.5 0.0 1.0
OE1 A:GLU38 2.7 69.9 1.0
OE2 A:GLU38 2.7 69.9 1.0
CD A:GLU38 3.0 69.9 1.0
CE A:LYS1 3.3 0.0 1.0
CD A:LYS1 3.5 0.0 1.0
CG A:GLU38 4.4 69.9 1.0
CG A:LYS1 4.8 0.0 1.0

Calcium binding site 2 out of 5 in 3iou

Go back to Calcium Binding Sites List in 3iou
Calcium binding site 2 out of 5 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C94


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 C94 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca453

b:89.4
occ:1.00
OE2 B:GLU38 2.6 70.0 1.0
CD B:GLU38 3.4 69.8 1.0
OE1 B:GLU38 3.5 69.9 1.0
CG B:GLU38 4.8 69.8 1.0
CZ2 B:TRP10 5.0 69.8 1.0

Calcium binding site 3 out of 5 in 3iou

Go back to Calcium Binding Sites List in 3iou
Calcium binding site 3 out of 5 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C94


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 C94 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca454

b:98.0
occ:1.00
OD1 B:ASP82 3.6 70.0 1.0
CB B:ASP82 3.9 69.9 1.0
CG B:ASP82 4.2 69.9 1.0
CB B:PHE85 4.6 69.9 1.0

Calcium binding site 4 out of 5 in 3iou

Go back to Calcium Binding Sites List in 3iou
Calcium binding site 4 out of 5 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C94


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 C94 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca451

b:99.1
occ:1.00
OE2 C:GLU38 3.3 70.2 1.0
OE1 C:GLU38 3.5 69.9 1.0
CD C:GLU38 3.7 70.0 1.0

Calcium binding site 5 out of 5 in 3iou

Go back to Calcium Binding Sites List in 3iou
Calcium binding site 5 out of 5 in the Huntingtin Amino-Terminal Region with 17 Gln Residues - Crystal C94


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 C94 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca452

b:98.3
occ:1.00
OE2 C:GLU291 2.9 69.9 0.1
OE1 C:GLU310 3.2 70.0 1.0
OE2 C:GLU310 3.2 70.0 1.0
CD C:GLU291 3.6 69.8 1.0
CD C:GLU310 3.6 70.0 1.0
OE1 C:GLU291 3.7 69.9 0.1
CG C:GLU291 4.9 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: Sat Dec 12 04:15:50 2020

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