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Calcium in PDB 3chk: Calcium Bound Structure of Alpha-14 Giardin

Protein crystallography data

The structure of Calcium Bound Structure of Alpha-14 Giardin, PDB code: 3chk was solved by P.Pathuri, H.Luecke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 49.301, 50.018, 71.819, 90.00, 110.04, 90.00
R / Rfree (%) 20.2 / 23.7

Calcium Binding Sites:

The binding sites of Calcium atom in the Calcium Bound Structure of Alpha-14 Giardin (pdb code 3chk). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Calcium Bound Structure of Alpha-14 Giardin, PDB code: 3chk:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in 3chk

Go back to Calcium Binding Sites List in 3chk
Calcium binding site 1 out of 5 in the Calcium Bound Structure of Alpha-14 Giardin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Calcium Bound Structure of Alpha-14 Giardin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca501

b:23.4
occ:1.00
 O A:ALA175 2.3 21.8 1.0
OG1 A:THR178 2.3 24.8 1.0
O A:GLY180 2.3 31.4 1.0
OE1 A:GLU185 2.4 26.3 1.0
OE2 A:GLU224 2.4 20.7 1.0
O A:THR178 2.5 27.7 1.0
OE1 A:GLU224 2.6 22.4 1.0
CD A:GLU224 2.8 18.9 1.0
C A:THR178 3.4 28.8 1.0
CD A:GLU185 3.4 25.3 1.0
C A:ALA175 3.4 21.1 1.0
C A:GLY180 3.4 33.0 1.0
CB A:THR178 3.6 27.2 1.0
OE2 A:GLU185 3.7 27.4 1.0
CA A:THR178 3.9 26.8 1.0
CA A:ALA175 4.0 21.4 1.0
N A:THR178 4.0 25.0 1.0
CA A:VAL181 4.2 32.4 1.0
N A:VAL181 4.2 32.2 1.0
N A:GLY180 4.3 33.7 1.0
C A:LYS179 4.3 32.9 1.0
CG A:GLU224 4.4 21.0 1.0
N A:LYS179 4.4 29.9 1.0
N A:LYS182 4.4 33.2 1.0
CA A:GLY180 4.4 32.9 1.0
O A:HOH514 4.5 25.2 1.0
O A:LYS179 4.6 34.1 1.0
N A:ILE176 4.6 21.1 1.0
CB A:ALA175 4.6 20.9 1.0
CG A:GLU185 4.7 25.2 1.0
CG A:LYS182 4.7 32.8 1.0
CG2 A:THR178 4.7 28.0 1.0
CA A:LYS179 4.7 32.5 1.0
C A:VAL181 4.8 33.0 1.0
O A:LYS174 4.9 24.4 1.0
C A:ILE176 4.9 22.4 1.0
CA A:ILE176 4.9 20.9 1.0

Calcium binding site 2 out of 5 in 3chk

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Calcium binding site 2 out of 5 in the Calcium Bound Structure of Alpha-14 Giardin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Calcium Bound Structure of Alpha-14 Giardin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca502

b:23.4
occ:1.00
 O A:PHE255 2.3 22.1 1.0
O A:GLY257 2.4 28.8 1.0
O A:GLY259 2.4 26.2 1.0
O A:HOH621 2.4 28.2 1.0
OE1 A:GLU298 2.6 21.1 1.0
OE2 A:GLU298 2.7 23.8 1.0
CD A:GLU298 3.0 18.5 1.0
C A:PHE255 3.5 22.2 1.0
C A:GLY259 3.6 28.0 1.0
C A:GLY257 3.6 28.8 1.0
N A:GLY259 3.9 29.5 1.0
N A:GLY257 4.1 27.5 1.0
C A:ALA256 4.2 25.9 1.0
C A:SER258 4.2 30.2 1.0
NH2 A:ARG294 4.3 20.4 1.0
CA A:GLY259 4.3 28.5 1.0
CA A:PHE255 4.4 20.5 1.0
N A:ALA256 4.5 23.0 1.0
O A:ALA256 4.5 26.8 1.0
O A:HOH554 4.5 32.4 1.0
CA A:GLY257 4.5 28.4 1.0
CG A:GLU298 4.5 21.2 1.0
CA A:SER258 4.5 30.5 1.0
O A:HOH850 4.5 73.9 1.0
N A:SER258 4.5 30.2 1.0
CA A:ALA256 4.6 25.0 1.0
O A:HOH694 4.6 31.3 1.0
CB A:SER260 4.6 26.9 1.0
N A:SER260 4.6 27.6 1.0
O A:HOH828 4.7 43.5 1.0
CB A:PHE255 4.7 20.4 1.0
O A:SER258 4.7 31.6 1.0
CA A:SER260 4.8 27.5 1.0
O A:HOH547 5.0 29.3 1.0
NE A:ARG294 5.0 18.5 1.0

Calcium binding site 3 out of 5 in 3chk

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Calcium binding site 3 out of 5 in the Calcium Bound Structure of Alpha-14 Giardin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Calcium Bound Structure of Alpha-14 Giardin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca503

b:29.3
occ:1.00
 O A:THR94 2.3 28.3 1.0
O A:GLY98 2.3 26.5 1.0
O A:GLY96 2.4 31.1 1.0
O A:HOH647 2.4 28.6 1.0
OD1 A:ASP138 2.4 25.3 1.0
O A:HOH726 2.4 29.5 1.0
OD2 A:ASP138 2.6 31.6 1.0
CG A:ASP138 2.8 27.3 1.0
C A:THR94 3.4 27.3 1.0
C A:GLY98 3.4 26.6 1.0
C A:GLY96 3.6 30.1 1.0
N A:GLY98 3.9 28.6 1.0
CA A:THR94 4.1 26.4 1.0
N A:GLY96 4.1 29.6 1.0
CA A:GLY98 4.2 28.0 1.0
C A:ALA97 4.2 29.4 1.0
OG1 A:THR99 4.2 27.8 1.0
O A:HOH706 4.2 32.8 1.0
C A:LYS95 4.3 28.3 1.0
CB A:ASP138 4.4 27.1 1.0
CA A:GLY96 4.4 29.7 1.0
N A:THR99 4.5 25.6 1.0
N A:LYS95 4.5 28.1 1.0
N A:ALA97 4.6 30.4 1.0
O A:ALA97 4.6 29.6 1.0
O A:LYS95 4.7 28.3 1.0
O A:HOH804 4.7 53.6 1.0
CA A:ALA97 4.7 30.0 1.0
CA A:THR99 4.8 24.9 1.0
CA A:LYS95 4.8 28.4 1.0
CB A:THR94 4.8 26.9 1.0
O A:HOH832 4.9 32.2 1.0

Calcium binding site 4 out of 5 in 3chk

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Calcium binding site 4 out of 5 in the Calcium Bound Structure of Alpha-14 Giardin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Calcium Bound Structure of Alpha-14 Giardin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca504

b:24.7
occ:1.00
 O A:HOH695 1.9 39.6 1.0
O A:GLU222 2.3 23.0 1.0
OE1 A:GLU230 2.4 25.9 1.0
O A:PHE225 2.4 22.8 1.0
NE2 A:GLN226 2.5 32.7 1.0
O A:HOH637 2.6 36.2 1.0
O A:HOH757 2.8 41.8 1.0
OE1 A:GLN226 2.9 40.6 1.0
CD A:GLN226 2.9 34.4 1.0
CD A:GLU230 3.5 25.8 1.0
C A:GLU222 3.5 22.0 1.0
C A:PHE225 3.6 21.8 1.0
CG A:GLN226 4.1 30.7 1.0
CA A:GLN226 4.1 24.0 1.0
OE2 A:GLU230 4.2 24.9 1.0
CA A:GLU222 4.3 21.9 1.0
N A:GLN226 4.3 22.8 1.0
CG A:GLU230 4.4 21.2 1.0
CB A:GLN226 4.5 25.9 1.0
N A:ASP223 4.5 22.6 1.0
N A:PHE225 4.5 21.2 1.0
O A:ASP223 4.6 23.9 1.0
C A:ASP223 4.7 23.2 1.0
CA A:PHE225 4.7 20.8 1.0
CB A:GLU230 4.8 20.6 1.0
CA A:ASP223 4.8 24.1 1.0
O A:VAL221 4.9 19.5 1.0
CB A:GLU222 5.0 21.8 1.0

Calcium binding site 5 out of 5 in 3chk

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Calcium binding site 5 out of 5 in the Calcium Bound Structure of Alpha-14 Giardin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Calcium Bound Structure of Alpha-14 Giardin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca505

b:40.1
occ:1.00
 O A:HOH830 2.1 36.5 1.0
O A:LEU67 2.3 30.8 1.0
O A:LYS64 2.4 35.6 1.0
O A:HOH515 2.4 45.7 1.0
OE1 A:GLU72 2.4 33.3 1.0
O A:HOH742 2.6 45.0 1.0
O A:HOH615 2.6 37.0 1.0
CD A:GLU72 3.4 29.4 1.0
C A:LYS64 3.5 35.7 1.0
C A:LEU67 3.5 30.3 1.0
OE2 A:GLU72 3.8 34.8 1.0
CA A:LYS64 4.2 35.1 1.0
CA A:SER68 4.2 30.0 1.0
N A:SER68 4.3 29.4 1.0
N A:LEU67 4.4 32.2 1.0
N A:LYS65 4.6 36.2 1.0
CA A:LEU67 4.6 31.0 1.0
CB A:SER68 4.7 29.8 1.0
CG A:GLU72 4.7 28.5 1.0
C A:LYS65 4.7 37.5 1.0
O A:HOH758 4.8 40.8 1.0
CA A:LYS65 4.8 37.6 1.0
CB A:LYS64 4.9 35.1 1.0
O A:LYS65 4.9 38.3 1.0
O A:LEU63 5.0 31.7 1.0
N A:HIS66 5.0 36.5 1.0

Reference:

P.Pathuri, E.T.Nguyen, G.Ozorowski, S.G.Svard, H.Luecke. Apo and Calcium-Bound Crystal Structures of Cytoskeletal Protein Alpha-14 Giardin (Annexin E1) From the Intestinal Protozoan Parasite Giardia Lamblia J.Mol.Biol. V. 385 1098 2009.
ISSN: ISSN 0022-2836
PubMed: 19046974
DOI: 10.1016/J.JMB.2008.11.012
Page generated: Sat Dec 12 04:07:31 2020

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