Calcium in PDB 2ff3: Crystal Structure of Gelsolin Domain 1:N-Wasp V2 Motif Hybrid in Complex with Actin

The structure of Crystal Structure of Gelsolin Domain 1:N-Wasp V2 Motif Hybrid in Complex with Actin, PDB code: 2ff3 was solved by B.Xue, A.H.Aguda, R.C.Robinson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.88 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.996, 69.347, 179.868, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 25

The binding sites of Calcium atom in the Crystal Structure of Gelsolin Domain 1:N-Wasp V2 Motif Hybrid in Complex with Actin (pdb code 2ff3). 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:N-Wasp V2 Motif Hybrid in Complex with Actin, PDB code: 2ff3:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Gelsolin Domain 1:N-Wasp V2 Motif 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:N-Wasp V2 Motif Hybrid in Complex with Actin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca701 b:14.6 occ:1.00 O A:ALA116 2.4 14.6 1.0 OE1 B:GLU167 2.4 13.6 1.0 O A:HOH720 2.4 20.9 1.0 O A:GLY114 2.4 15.0 1.0 OD2 A:ASP109 2.5 16.1 1.0 O A:HOH705 2.6 20.9 1.0 O A:HOH733 2.6 26.9 1.0 OD1 A:ASP109 2.9 15.9 1.0 CG A:ASP109 3.1 15.0 1.0 C A:GLY114 3.3 15.5 1.0 CD B:GLU167 3.5 14.4 1.0 C A:ALA116 3.6 15.0 1.0 OE2 B:GLU167 3.9 14.9 1.0 N A:ALA116 3.9 15.7 1.0 CA A:GLY114 4.0 15.4 1.0 O A:HOH778 4.1 37.5 1.0 N A:ARG115 4.3 15.8 1.0 CA A:ALA116 4.3 15.2 1.0 O B:HOH975 4.4 19.4 1.0 C A:ARG115 4.4 15.9 1.0 O A:HOH780 4.4 30.8 1.0 O A:HOH717 4.5 19.4 1.0 CB A:ASP109 4.6 14.3 1.0 N A:VAL117 4.6 14.4 1.0 CA A:ARG115 4.7 16.4 1.0 O B:HOH922 4.7 21.4 1.0 O A:HOH754 4.7 27.9 1.0 CG B:GLU167 4.7 13.2 1.0 OE1 A:GLN118 4.7 14.9 1.0 CB B:GLU167 4.8 13.2 1.0 CA A:VAL117 4.8 14.2 1.0 CB A:ALA116 4.9 15.0 1.0 O A:ARG115 5.0 16.0 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Gelsolin Domain 1:N-Wasp V2 Motif 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:N-Wasp V2 Motif Hybrid in Complex with Actin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca702 b:15.5 occ:1.00 O A:GLY65 2.3 16.7 1.0 OD2 A:ASP66 2.3 18.1 1.0 O A:HOH711 2.4 13.1 1.0 O A:VAL145 2.4 20.6 1.0 O A:HOH709 2.4 11.8 1.0 OE2 A:GLU97 2.4 13.0 1.0 OE1 A:GLU97 2.6 12.7 1.0 CD A:GLU97 2.8 12.4 1.0 C A:GLY65 3.4 16.7 1.0 CG A:ASP66 3.5 17.5 1.0 C A:VAL145 3.6 20.9 1.0 CA A:ASP66 3.9 16.9 1.0 N A:VAL145 4.0 21.4 1.0 N A:ASP66 4.1 16.6 1.0 CG1 A:VAL145 4.2 21.4 1.0 CB A:ASP66 4.3 16.9 1.0 CA A:VAL145 4.3 21.1 1.0 CG A:GLU97 4.4 11.8 1.0 O A:HOH704 4.4 15.9 1.0 O A:HOH721 4.4 20.7 1.0 OD1 A:ASP66 4.4 18.8 1.0 CA A:GLY65 4.4 16.6 1.0 C A:GLY144 4.5 21.5 1.0 N A:ALA146 4.6 20.8 1.0 O A:HOH777 4.7 37.5 1.0 C A:ALA146 4.7 20.5 1.0 OG A:SER94 4.7 15.8 1.0 CA A:GLY144 4.7 21.5 1.0 CA A:ALA146 4.8 20.7 1.0 N A:SER94 4.8 14.7 1.0 CA A:CYS93 4.8 15.2 1.0 O A:HOH707 4.9 22.1 1.0 N A:SER147 4.9 20.2 1.0 O A:ALA146 4.9 20.6 1.0 CB A:VAL145 4.9 21.3 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Gelsolin Domain 1:N-Wasp V2 Motif 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:N-Wasp V2 Motif Hybrid in Complex with Actin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca700 b:15.8 occ:1.00 O2B B:ATP900 2.3 14.5 1.0 O3G B:ATP900 2.4 14.8 1.0 O B:HOH913 2.4 17.7 1.0 O B:HOH945 2.5 16.2 1.0 O B:HOH939 2.5 15.0 1.0 O B:HOH909 2.5 17.6 1.0 O B:HOH933 2.6 16.1 1.0 PG B:ATP900 3.6 14.3 1.0 PB B:ATP900 3.6 14.6 1.0 O1G B:ATP900 3.9 12.7 1.0 O3B B:ATP900 4.0 15.7 1.0 O B:HOH932 4.3 18.7 1.0 OE1 B:GLN137 4.3 16.0 1.0 CA B:GLY13 4.3 16.8 1.0 O3A B:ATP900 4.4 15.8 1.0 O1A B:ATP900 4.4 15.8 1.0 NZ B:LYS18 4.5 12.4 1.0 O B:HOH977 4.5 24.2 1.0 CD B:GLN137 4.5 15.5 1.0 OD1 B:ASP154 4.7 19.3 1.0 OD2 B:ASP11 4.7 15.3 1.0 OD1 B:ASP11 4.7 14.9 1.0 O B:HOH935 4.8 24.5 1.0 PA B:ATP900 4.8 16.5 1.0 NE2 B:GLN137 4.8 14.2 1.0 O1B B:ATP900 4.9 15.3 1.0 O2G B:ATP900 4.9 13.6 1.0 OD2 B:ASP154 5.0 19.7 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