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Calcium in PDB 1nph: Gelsolin Domains 4-6 in Active, Actin Free Conformation Identifies Sites of Regulatory Calcium Ions

Protein crystallography data

The structure of Gelsolin Domains 4-6 in Active, Actin Free Conformation Identifies Sites of Regulatory Calcium Ions, PDB code: 1nph was solved by S.Kolappan, J.T.Gooch, A.G.Weeds, P.J.Mclaughlin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 3.00
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 122.520, 122.520, 82.723, 90.00, 90.00, 90.00
R / Rfree (%) 24.7 / 29.9

Calcium Binding Sites:

The binding sites of Calcium atom in the Gelsolin Domains 4-6 in Active, Actin Free Conformation Identifies Sites of Regulatory Calcium Ions (pdb code 1nph). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Gelsolin Domains 4-6 in Active, Actin Free Conformation Identifies Sites of Regulatory Calcium Ions, PDB code: 1nph:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 1nph

Go back to Calcium Binding Sites List in 1nph
Calcium binding site 1 out of 2 in the Gelsolin Domains 4-6 in Active, Actin Free Conformation Identifies Sites of Regulatory Calcium Ions


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Gelsolin Domains 4-6 in Active, Actin Free Conformation Identifies Sites of Regulatory Calcium Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca744

b:48.1
occ:1.00
OD1 A:ASN564 2.4 41.2 1.0
OE2 A:GLU587 2.4 56.8 1.0
O A:ASN564 2.4 41.7 1.0
OD1 A:ASP565 2.5 40.0 1.0
OE1 A:GLU587 2.6 57.2 1.0
CD A:GLU587 2.8 56.8 1.0
CG A:ASN564 3.3 38.1 1.0
C A:ASN564 3.4 42.4 1.0
CG A:ASP565 3.8 41.9 1.0
ND2 A:ASN564 3.8 37.1 1.0
CA A:ASP565 4.0 43.4 1.0
N A:ASP565 4.1 43.0 1.0
O A:GLY582 4.2 50.1 1.0
CG A:GLU587 4.2 56.6 1.0
CB A:ASN564 4.3 39.1 1.0
CA A:ASN564 4.4 40.9 1.0
CB A:ASP565 4.5 42.4 1.0
CA A:ALA583 4.6 52.2 1.0
N A:SER584 4.6 55.3 1.0
CG A:ARG542 4.7 43.7 1.0
C A:GLY582 4.7 50.9 1.0
OD2 A:ASP565 4.7 41.1 1.0
N A:ALA543 4.8 43.4 1.0
N A:ALA583 4.9 51.7 1.0

Calcium binding site 2 out of 2 in 1nph

Go back to Calcium Binding Sites List in 1nph
Calcium binding site 2 out of 2 in the Gelsolin Domains 4-6 in Active, Actin Free Conformation Identifies Sites of Regulatory Calcium Ions


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Gelsolin Domains 4-6 in Active, Actin Free Conformation Identifies Sites of Regulatory Calcium Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca745

b:52.6
occ:1.00
O A:ASP669 2.3 36.2 1.0
OD2 A:ASP670 2.4 34.7 1.0
OE1 A:GLU692 2.4 39.5 1.0
OE2 A:GLU692 2.6 39.8 1.0
CD A:GLU692 2.8 38.9 1.0
C A:ASP669 3.5 35.9 1.0
CG A:ASP670 3.6 32.8 1.0
CA A:ASP670 4.1 30.6 1.0
OG A:SER646 4.2 30.8 1.0
N A:ASP670 4.3 33.4 1.0
CG A:GLU692 4.3 37.1 1.0
OD1 A:ASP670 4.4 32.2 1.0
CB A:ASP670 4.4 29.9 1.0
CB A:ASP669 4.5 39.6 1.0
CA A:ASP669 4.6 37.3 1.0
N A:GLN689 4.6 39.7 1.0
CA A:SER688 4.7 37.2 1.0
N A:ASN647 4.7 36.4 1.0
O A:ASN647 4.7 43.1 1.0
OE1 A:GLN689 4.7 56.0 1.0
CG A:GLN689 4.9 47.1 1.0
O A:ASP687 4.9 39.0 1.0

Reference:

S.Kolappan, J.T.Gooch, A.G.Weeds, P.J.Mclaughlin. Gelsolin Domains 4-6 in Active, Actin-Free Conformation Identifies Sites of Regulatory Calcium Ions J.Mol.Biol. V. 329 85 2003.
ISSN: ISSN 0022-2836
PubMed: 12742020
DOI: 10.1016/S0022-2836(03)00383-8
Page generated: Thu Jul 11 12:58:26 2024

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