Calcium in PDB 2ff6: Crystal Structure of Gelsolin Domain 1:Ciboulot Domain 2 Hybrid in Complex with Actin

The structure of Crystal Structure of Gelsolin Domain 1:Ciboulot Domain 2 Hybrid in Complex with Actin, PDB code: 2ff6 was solved by A.H.Aguda, B.Xue, R.C.Robinson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.50 / 2.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.221, 69.373, 79.650, 90.00, 95.10, 90.00
R / Rfree (%)	20.2 / 23.7

The binding sites of Calcium atom in the Crystal Structure of Gelsolin Domain 1:Ciboulot Domain 2 Hybrid in Complex with Actin (pdb code 2ff6). 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 Gelsolin Domain 1:Ciboulot Domain 2 Hybrid in Complex with Actin, PDB code: 2ff6:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Gelsolin Domain 1:Ciboulot Domain 2 Hybrid in Complex with Actin


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 Gelsolin Domain 1:Ciboulot Domain 2 Hybrid in Complex with Actin within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca701 b:13.8 occ:1.00 O G:ALA116 2.3 12.3 1.0 OE1 A:GLU167 2.4 11.9 1.0 OD2 G:ASP109 2.4 15.5 1.0 O G:HOH706 2.4 15.8 1.0 O G:GLY114 2.5 12.3 1.0 O G:HOH736 2.6 31.3 1.0 O G:HOH704 2.6 11.4 1.0 OD1 G:ASP109 2.9 13.2 1.0 CG G:ASP109 3.1 14.1 1.0 C G:GLY114 3.4 12.7 1.0 CD A:GLU167 3.5 12.2 1.0 C G:ALA116 3.5 12.2 1.0 N G:ALA116 3.9 12.4 1.0 OE2 A:GLU167 3.9 11.8 1.0 CA G:GLY114 4.0 12.7 1.0 O G:HOH768 4.2 34.8 1.0 CA G:ALA116 4.3 12.0 1.0 N G:ARG115 4.3 12.8 1.0 O A:HOH917 4.3 17.6 1.0 C G:ARG115 4.3 12.9 1.0 O G:HOH744 4.5 23.3 1.0 CB G:ASP109 4.6 13.7 1.0 N G:VAL117 4.6 11.6 1.0 O G:HOH712 4.6 14.6 1.0 CA G:ARG115 4.7 13.2 1.0 O G:HOH770 4.7 18.4 1.0 CG A:GLU167 4.7 10.7 1.0 CB A:GLU167 4.8 11.5 1.0 CA G:VAL117 4.8 11.4 1.0 OE1 G:GLN118 4.8 11.3 1.0 CB G:ALA116 4.9 12.0 1.0 O G:ARG115 5.0 12.8 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Gelsolin Domain 1:Ciboulot Domain 2 Hybrid in Complex with Actin


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 Gelsolin Domain 1:Ciboulot Domain 2 Hybrid in Complex with Actin within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca702 b:16.4 occ:1.00 O G:GLY65 2.3 12.6 1.0 OD2 G:ASP66 2.3 16.9 1.0 O G:VAL145 2.3 17.8 1.0 O G:HOH721 2.4 14.4 1.0 O G:HOH731 2.5 15.1 1.0 OE2 G:GLU97 2.6 12.7 1.0 OE1 G:GLU97 2.6 14.3 1.0 CD G:GLU97 2.9 12.6 1.0 C G:GLY65 3.4 13.2 1.0 C G:VAL145 3.5 17.7 1.0 CG G:ASP66 3.5 15.5 1.0 N G:VAL145 3.9 17.8 1.0 CA G:ASP66 4.0 13.8 1.0 N G:ASP66 4.1 13.4 1.0 O G:HOH703 4.2 12.4 1.0 CA G:VAL145 4.3 17.8 1.0 CG1 G:VAL145 4.3 17.8 1.0 C G:GLY144 4.4 17.9 1.0 CB G:ASP66 4.4 14.0 1.0 OD1 G:ASP66 4.4 16.6 1.0 CG G:GLU97 4.4 12.0 1.0 CA G:GLY65 4.4 13.3 1.0 O G:HOH733 4.5 24.6 1.0 N G:ALA146 4.6 17.8 1.0 C G:ALA146 4.6 17.6 1.0 OG G:SER94 4.6 13.6 1.0 CA G:GLY144 4.6 17.7 1.0 CA G:ALA146 4.7 17.8 1.0 CA G:CYS93 4.8 11.8 1.0 N G:SER94 4.8 12.1 1.0 N G:SER147 4.8 17.5 1.0 O G:ALA146 4.8 17.5 1.0 O G:HOH707 4.9 16.3 1.0 O G:HOH759 4.9 25.3 1.0 CB G:VAL145 5.0 18.1 1.0 O G:GLY144 5.0 18.0 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Gelsolin Domain 1:Ciboulot Domain 2 Hybrid in Complex with Actin


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 Gelsolin Domain 1:Ciboulot Domain 2 Hybrid in Complex with Actin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca700 b:11.8 occ:1.00 O3G A:ATP900 2.3 10.3 1.0 O A:HOH1061 2.3 18.2 1.0 O A:HOH907 2.3 8.7 1.0 O2B A:ATP900 2.3 11.4 1.0 O A:HOH930 2.4 18.1 1.0 O A:HOH962 2.4 22.6 1.0 O A:HOH923 2.7 13.8 1.0 PG A:ATP900 3.5 10.2 1.0 PB A:ATP900 3.6 11.8 1.0 O1G A:ATP900 3.9 10.3 1.0 O3B A:ATP900 3.9 10.8 1.0 O A:HOH925 4.1 14.6 1.0 OE1 A:GLN137 4.2 15.2 1.0 O1A A:ATP900 4.2 13.1 1.0 O3A A:ATP900 4.2 12.8 1.0 NZ A:LYS18 4.4 8.9 1.0 CA A:GLY13 4.4 13.0 1.0 O A:HOH945 4.4 18.3 1.0 CD A:GLN137 4.5 14.0 1.0 OD2 A:ASP11 4.6 12.8 1.0 O A:HOH938 4.7 23.0 1.0 OD1 A:ASP154 4.7 19.0 1.0 PA A:ATP900 4.7 14.8 1.0 O2G A:ATP900 4.8 11.0 1.0 NE2 A:GLN137 4.8 13.2 1.0 OD1 A:ASP11 4.8 14.0 1.0 O1B A:ATP900 4.9 10.8 1.0 OD2 A:ASP154 4.9 19.8 1.0

A.H.Aguda, B.Xue, E.Irobi, T.Preat, R.C.Robinson. The Structural Basis of Actin Interaction with Multiple WH2/Beta-Thymosin Motif-Containing Proteins Structure V. 14 469 2006.
ISSN: ISSN 0969-2126
PubMed: 16531231
DOI: 10.1016/J.STR.2005.12.011