Calcium in PDB 3a5l: Crystal Structure of A Dictyostelium P109A MG2+-Actin in Complex with Human Gelsolin Segment 1

The structure of Crystal Structure of A Dictyostelium P109A MG2+-Actin in Complex with Human Gelsolin Segment 1, PDB code: 3a5l was solved by K.Murakami, T.Yasunaga, T.Q.Noguchi, T.Q.Uyeda, T.Wakabayashi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.13 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.852, 69.005, 180.881, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 20.7

The structure of Crystal Structure of A Dictyostelium P109A MG2+-Actin in Complex with Human Gelsolin Segment 1 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Calcium atom in the Crystal Structure of A Dictyostelium P109A MG2+-Actin in Complex with Human Gelsolin Segment 1 (pdb code 3a5l). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of A Dictyostelium P109A MG2+-Actin in Complex with Human Gelsolin Segment 1, PDB code: 3a5l:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of A Dictyostelium P109A MG2+-Actin in Complex with Human Gelsolin Segment 1


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 A Dictyostelium P109A MG2+-Actin in Complex with Human Gelsolin Segment 1 within 5.0Å range: probe atom residue distance (Å) B Occ S:Ca128 b:28.2 occ:1.00 O S:HOH1031 2.2 33.7 1.0 O S:VAL123 2.3 25.4 1.0 O S:GLY43 2.3 26.4 1.0 OD2 S:ASP44 2.3 33.5 1.0 OE2 S:GLU75 2.5 24.4 1.0 OE1 S:GLU75 2.6 20.3 1.0 O S:HOH1371 2.6 44.3 1.0 CD S:GLU75 2.9 24.6 1.0 C S:GLY43 3.4 25.4 1.0 C S:VAL123 3.5 28.5 1.0 CG S:ASP44 3.6 29.7 1.0 N S:VAL123 4.0 30.1 1.0 CA S:ASP44 4.1 25.2 1.0 N S:ASP44 4.1 25.3 1.0 O S:HOH1101 4.2 22.7 1.0 CA S:VAL123 4.3 28.3 1.0 CG1 S:VAL123 4.3 25.7 1.0 OD1 S:ASP44 4.4 31.8 1.0 CG S:GLU75 4.4 19.3 1.0 CB S:ASP44 4.4 24.8 1.0 CA S:GLY43 4.5 24.2 1.0 O S:HOH1073 4.5 32.6 1.0 N S:ALA124 4.5 28.9 1.0 C S:GLY122 4.5 30.0 1.0 OG S:SER72 4.5 26.6 1.0 C S:ALA124 4.6 28.1 1.0 CA S:ALA124 4.6 28.1 1.0 CA S:CYS71 4.7 25.1 1.0 CA S:GLY122 4.7 30.6 1.0 O S:HOH1102 4.8 22.2 1.0 N S:SER125 4.8 28.1 1.0 O S:ALA124 4.8 29.5 1.0 N S:SER72 4.8 24.4 1.0 O S:HOH1081 4.8 48.3 1.0 CB S:VAL123 5.0 28.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of A Dictyostelium P109A MG2+-Actin in Complex with Human Gelsolin Segment 1


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 A Dictyostelium P109A MG2+-Actin in Complex with Human Gelsolin Segment 1 within 5.0Å range: probe atom residue distance (Å) B Occ S:Ca129 b:69.4 occ:1.00 OD2 S:ASP87 2.3 27.7 1.0 O S:ALA94 2.4 32.6 1.0 OE1 C:GLU167 2.9 35.1 1.0 O S:GLY92 3.0 29.1 1.0 OD1 S:ASP87 3.0 27.5 1.0 CG S:ASP87 3.0 27.5 1.0 O S:HOH1034 3.2 55.4 1.0 O C:HOH1082 3.3 38.5 1.0 C S:ALA94 3.5 30.3 1.0 C S:GLY92 3.5 27.2 1.0 N S:ALA94 3.8 29.5 1.0 O S:HOH1265 3.9 66.3 1.0 CD C:GLU167 3.9 35.0 1.0 CA S:GLY92 4.1 26.3 1.0 CA S:ALA94 4.2 29.9 1.0 OE2 C:GLU167 4.3 33.1 1.0 N S:ARG93 4.3 26.8 1.0 C S:ARG93 4.4 30.6 1.0 O S:HOH1004 4.5 47.6 1.0 CB S:ASP87 4.5 23.6 1.0 O C:HOH1139 4.5 43.5 1.0 N S:VAL95 4.6 30.4 1.0 NE2 S:GLN96 4.6 20.4 1.0 CA S:ARG93 4.8 30.4 1.0 CA S:VAL95 4.8 30.1 1.0 CB S:ALA94 4.9 28.0 1.0 CG S:GLN96 4.9 25.1 1.0

K.Murakami, T.Yasunaga, T.Q.P.Noguchi, Y.Gomibuchi, K.X.Ngo, T.Q.P.Uyeda, T.Wakabayashi. Structural Basis For Actin Assembly, Activation of Atp Hydrolysis, and Delayed Phosphate Release Cell(Cambridge,Mass.) V. 143 275 2010.
ISSN: ISSN 0092-8674
PubMed: 20946985
DOI: 10.1016/J.CELL.2010.09.034