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Calcium in PDB 3pos: Crystal Structure of the Globular Domain of Human Calreticulin

Protein crystallography data

The structure of Crystal Structure of the Globular Domain of Human Calreticulin, PDB code: 3pos was solved by A.Chouquet, H.Paidassi, W.-L.Ling, P.Frachet, G.Houen, G.J.Arlaud, C.Gaboriaud, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.94 / 1.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.230, 91.100, 194.020, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 20.5

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the Globular Domain of Human Calreticulin (pdb code 3pos). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of the Globular Domain of Human Calreticulin, PDB code: 3pos:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 3pos

Go back to Calcium Binding Sites List in 3pos
Calcium binding site 1 out of 3 in the Crystal Structure of the Globular Domain of Human Calreticulin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Globular Domain of Human Calreticulin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1

b:10.3
occ:1.00
 O A:GLN26 2.3 12.1 1.0
O A:LYS64 2.4 10.2 1.0
O A:HOH728 2.4 11.2 1.0
O A:HOH730 2.4 13.1 1.0
O A:LYS62 2.4 11.9 1.0
OD2 A:ASP328 2.4 10.8 1.0
OD1 A:ASP328 2.5 10.8 1.0
CG A:ASP328 2.8 10.0 1.0
C A:GLN26 3.4 12.9 1.0
C A:LYS64 3.5 12.6 1.0
C A:LYS62 3.6 14.5 1.0
N A:LYS64 3.7 11.8 1.0
CA A:GLN26 4.1 10.0 1.0
C A:ASP63 4.1 13.5 1.0
CA A:LYS64 4.1 10.7 1.0
O A:HOH9 4.3 13.6 1.0
CA A:ASP63 4.3 12.4 1.0
ND2 A:ASN329 4.3 8.7 1.0
CB A:ASP328 4.3 7.0 1.0
N A:ASP63 4.3 11.5 1.0
O A:PHE27 4.4 14.9 1.0
CB A:GLN26 4.4 11.9 1.0
CB A:PHE27 4.4 10.4 1.0
N A:PHE27 4.5 10.3 1.0
CA A:LYS62 4.5 11.4 1.0
N A:GLY65 4.6 9.1 1.0
C A:PHE27 4.6 15.1 1.0
O A:GLU61 4.6 17.1 1.0
CB A:LYS64 4.6 11.2 1.0
CD2 A:PHE27 4.6 12.2 1.0
CA A:PHE27 4.7 9.2 1.0
O A:ASP63 4.8 12.4 1.0
CD2 A:LEU28 4.8 20.5 1.0
CA A:GLY65 4.9 7.6 1.0
O A:HOH379 4.9 10.7 1.0
O A:HOH451 4.9 20.5 1.0
CG A:ASN329 4.9 15.5 1.0
OD1 A:ASN329 4.9 16.3 1.0

Calcium binding site 2 out of 3 in 3pos

Go back to Calcium Binding Sites List in 3pos
Calcium binding site 2 out of 3 in the Crystal Structure of the Globular Domain of Human Calreticulin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Globular Domain of Human Calreticulin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca2

b:10.5
occ:1.00
 O B:GLN26 2.3 12.1 1.0
O B:LYS64 2.3 10.1 1.0
O B:HOH725 2.4 9.2 1.0
O B:LYS62 2.4 10.4 1.0
OD2 B:ASP328 2.4 7.5 1.0
O B:HOH726 2.5 10.9 1.0
OD1 B:ASP328 2.5 7.6 1.0
CG B:ASP328 2.8 7.5 1.0
C B:GLN26 3.4 13.0 1.0
C B:LYS64 3.5 12.2 1.0
C B:LYS62 3.5 12.4 1.0
N B:LYS64 3.7 11.2 1.0
C B:ASP63 4.1 12.4 1.0
CA B:LYS64 4.1 10.5 1.0
CA B:GLN26 4.1 10.2 1.0
O B:HOH389 4.3 11.6 1.0
CA B:ASP63 4.3 10.0 1.0
CB B:ASP328 4.3 7.3 1.0
N B:ASP63 4.3 10.9 1.0
CB B:PHE27 4.4 9.9 1.0
ND2 B:ASN329 4.4 6.7 1.0
O B:PHE27 4.4 12.7 1.0
CA B:LYS62 4.5 11.8 1.0
N B:PHE27 4.5 9.9 1.0
CB B:GLN26 4.5 10.9 1.0
O B:GLU61 4.6 19.7 1.0
N B:GLY65 4.6 9.7 1.0
C B:PHE27 4.6 15.3 1.0
CD2 B:LEU28 4.6 20.9 1.0
CB B:LYS64 4.6 10.4 1.0
CD2 B:PHE27 4.7 9.5 1.0
CA B:PHE27 4.7 8.8 1.0
O B:ASP63 4.8 11.6 1.0
O B:HOH233 4.8 19.9 1.0
CA B:GLY65 4.9 8.7 1.0
OD1 B:ASN329 4.9 19.0 1.0
CG B:ASN329 4.9 12.9 1.0

Calcium binding site 3 out of 3 in 3pos

Go back to Calcium Binding Sites List in 3pos
Calcium binding site 3 out of 3 in the Crystal Structure of the Globular Domain of Human Calreticulin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of the Globular Domain of Human Calreticulin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca3

b:8.6
occ:1.00
 O C:HOH727 2.3 12.6 1.0
O C:GLN26 2.4 8.4 1.0
O C:LYS64 2.4 9.9 1.0
O C:HOH729 2.4 11.3 1.0
O C:LYS62 2.4 8.4 1.0
OD1 C:ASP328 2.5 8.4 1.0
OD2 C:ASP328 2.5 7.0 1.0
CG C:ASP328 2.8 7.5 1.0
C C:GLN26 3.5 8.8 1.0
C C:LYS64 3.5 11.2 1.0
C C:LYS62 3.5 10.1 1.0
N C:LYS64 3.7 9.6 1.0
C C:ASP63 4.1 11.8 1.0
CA C:GLN26 4.2 7.8 1.0
CA C:LYS64 4.2 9.0 1.0
CA C:ASP63 4.3 8.7 1.0
O C:HOH418 4.3 15.5 1.0
CB C:ASP328 4.3 7.2 1.0
N C:ASP63 4.4 7.8 1.0
O C:PHE27 4.4 13.0 1.0
ND2 C:ASN329 4.4 7.2 1.0
CB C:PHE27 4.5 9.5 1.0
CB C:GLN26 4.5 10.6 1.0
CA C:LYS62 4.5 9.4 1.0
N C:PHE27 4.5 7.6 1.0
N C:GLY65 4.6 7.1 1.0
O C:GLU61 4.6 13.7 1.0
C C:PHE27 4.6 12.8 1.0
CD2 C:PHE27 4.6 9.4 1.0
CB C:LYS64 4.6 12.0 1.0
CD2 C:LEU28 4.7 18.7 1.0
CA C:PHE27 4.8 9.2 1.0
O C:ASP63 4.8 10.0 1.0
OD1 C:ASN329 4.8 13.3 1.0
CG C:ASN329 4.9 10.8 1.0
O C:HOH375 4.9 10.2 1.0
CA C:GLY65 4.9 7.3 1.0
O C:HOH217 5.0 19.0 1.0

Reference:

A.Chouquet, H.Paidassi, W.L.Ling, P.Frachet, G.Houen, G.J.Arlaud, C.Gaboriaud. X-Ray Structure of the Human Calreticulin Globular Domain Reveals A Peptide-Binding Area and Suggests A Multi-Molecular Mechanism Plos One V. 6 17886 2011.
ISSN: ESSN 1932-6203
PubMed: 21423620
DOI: 10.1371/JOURNAL.PONE.0017886
Page generated: Sat Dec 12 04:24:55 2020

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