Calcium in PDB 3a5o: Crystal Structure of A Dictyostelium P109I CA2+-Actin in Complex with Human Gelsolin Segment 1

The structure of Crystal Structure of A Dictyostelium P109I CA2+-Actin in Complex with Human Gelsolin Segment 1, PDB code: 3a5o 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)	47.83 / 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 (%)	17.1 / 20.7

The binding sites of Calcium atom in the Crystal Structure of A Dictyostelium P109I CA2+-Actin in Complex with Human Gelsolin Segment 1 (pdb code 3a5o). 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 A Dictyostelium P109I CA2+-Actin in Complex with Human Gelsolin Segment 1, PDB code: 3a5o:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of A Dictyostelium P109I CA2+-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 P109I CA2+-Actin in Complex with Human Gelsolin Segment 1 within 5.0Å range: probe atom residue distance (Å) B Occ S:Ca128 b:15.8 occ:1.00 OD2 S:ASP44 2.2 18.0 1.0 O S:HOH1031 2.2 18.7 1.0 O S:VAL123 2.3 19.0 1.0 O S:HOH1117 2.4 18.2 1.0 OE2 S:GLU75 2.4 16.6 1.0 O S:GLY43 2.4 17.1 1.0 OE1 S:GLU75 2.5 12.3 1.0 CD S:GLU75 2.8 14.6 1.0 CG S:ASP44 3.5 16.6 1.0 C S:VAL123 3.5 19.4 1.0 C S:GLY43 3.5 15.9 1.0 N S:VAL123 3.9 19.9 1.0 CA S:ASP44 4.1 15.1 1.0 O S:HOH1101 4.2 13.3 1.0 N S:ASP44 4.2 15.5 1.0 CA S:VAL123 4.3 18.7 1.0 OD1 S:ASP44 4.3 20.6 1.0 CG S:GLU75 4.3 14.4 1.0 CG1 S:VAL123 4.3 15.5 1.0 CB S:ASP44 4.4 14.8 1.0 C S:GLY122 4.4 20.5 1.0 N S:ALA124 4.5 19.9 1.0 CA S:GLY43 4.5 14.8 1.0 O S:HOH1073 4.5 23.2 1.0 OG S:SER72 4.6 16.4 1.0 C S:ALA124 4.6 20.4 1.0 CA S:ALA124 4.7 20.1 1.0 O S:HOH1102 4.8 13.9 1.0 CA S:CYS71 4.8 15.9 1.0 O S:HOH1081 4.8 21.8 1.0 N S:SER125 4.8 20.3 1.0 CA S:GLY122 4.8 20.8 1.0 O S:HOH1037 4.8 39.0 1.0 N S:SER72 4.8 15.3 1.0 O S:ALA124 4.8 20.3 1.0 CB S:VAL123 5.0 18.9 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of A Dictyostelium P109I CA2+-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 P109I CA2+-Actin in Complex with Human Gelsolin Segment 1 within 5.0Å range: probe atom residue distance (Å) B Occ S:Ca129 b:24.5 occ:1.00 OD2 S:ASP87 2.4 15.1 1.0 O S:ALA94 2.4 16.0 1.0 OE1 C:GLU167 2.4 16.7 1.0 O S:GLY92 2.6 15.4 1.0 O S:HOH1004 2.6 25.4 1.0 O S:HOH1082 2.7 31.4 1.0 OD1 S:ASP87 2.8 13.7 1.0 O C:HOH1223 2.8 27.0 1.0 CG S:ASP87 2.9 15.9 1.0 C S:GLY92 3.4 15.4 1.0 CD C:GLU167 3.6 16.4 1.0 C S:ALA94 3.6 15.5 1.0 N S:ALA94 3.9 17.0 1.0 CA S:GLY92 3.9 14.1 1.0 OE2 C:GLU167 4.1 16.1 1.0 CA S:ALA94 4.3 16.1 1.0 N S:ARG93 4.3 16.0 1.0 O C:HOH1139 4.4 23.4 1.0 C S:ARG93 4.4 18.6 1.0 CB S:ASP87 4.4 14.6 1.0 O S:HOH1265 4.6 30.3 1.0 N S:VAL95 4.7 15.6 1.0 NE2 S:GLN96 4.7 6.0 1.0 CA S:ARG93 4.7 18.3 1.0 O S:HOH1307 4.7 38.3 1.0 CG C:GLU167 4.8 15.4 1.0 O S:HOH1224 4.9 24.8 1.0 CB S:ALA94 4.9 14.3 1.0 CB C:GLU167 4.9 13.4 1.0 CA S:VAL95 4.9 13.4 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of A Dictyostelium P109I CA2+-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 3 of Crystal Structure of A Dictyostelium P109I CA2+-Actin in Complex with Human Gelsolin Segment 1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca377 b:20.4 occ:1.00 O1B C:ATP376 2.4 11.6 1.0 O2G C:ATP376 2.4 15.7 1.0 O C:HOH1065 2.5 15.8 1.0 O C:HOH1008 2.5 17.8 1.0 O C:HOH1050 2.5 15.2 1.0 O C:HOH1108 2.6 20.1 1.0 O C:HOH1001 2.8 21.0 1.0 PG C:ATP376 3.5 16.5 1.0 PB C:ATP376 3.7 15.2 1.0 O3G C:ATP376 3.9 16.2 1.0 O C:HOH1134 4.0 41.5 1.0 O3B C:ATP376 4.0 14.0 1.0 OE1 C:GLN137 4.0 18.7 1.0 CA C:GLY13 4.2 18.0 1.0 O C:HOH1165 4.3 20.7 1.0 O1A C:ATP376 4.4 14.8 1.0 O3A C:ATP376 4.4 16.3 1.0 NZ C:LYS18 4.4 13.1 1.0 O C:HOH1203 4.4 46.0 1.0 CD C:GLN137 4.5 15.5 1.0 O C:HOH1164 4.7 28.7 1.0 OD2 C:ASP154 4.8 38.1 1.0 OD2 C:ASP11 4.8 19.5 1.0 OD1 C:ASP11 4.8 19.5 1.0 PA C:ATP376 4.8 16.4 1.0 O2B C:ATP376 4.9 12.5 1.0 O1G C:ATP376 4.9 17.1 1.0 OD1 C:ASP154 4.9 40.9 1.0 O C:ASN12 4.9 16.9 1.0 NE2 C:GLN137 4.9 14.8 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