Calcium in PDB 2a41: Ternary Complex of the WH2 Domain of Wip with Actin-Dnase I

All present enzymatic activity of Ternary Complex of the WH2 Domain of Wip with Actin-Dnase I:
3.1.21.1;

The structure of Ternary Complex of the WH2 Domain of Wip with Actin-Dnase I, PDB code: 2a41 was solved by D.Chereau, F.Kerff, R.Dominguez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.08 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.800, 77.070, 222.290, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 21.9

The structure of Ternary Complex of the WH2 Domain of Wip with Actin-Dnase I also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Calcium atom in the Ternary Complex of the WH2 Domain of Wip with Actin-Dnase I (pdb code 2a41). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Ternary Complex of the WH2 Domain of Wip with Actin-Dnase I, PDB code: 2a41:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Ternary Complex of the WH2 Domain of Wip with Actin-Dnase I


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Ternary Complex of the WH2 Domain of Wip with Actin-Dnase I within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1381 b:26.8 occ:1.00 O A:HOH1483 2.2 18.8 1.0 O1B A:ATP1380 2.3 28.9 1.0 O A:HOH1404 2.3 19.6 1.0 O2G A:ATP1380 2.3 27.1 1.0 O A:HOH1397 2.3 19.6 1.0 O A:HOH1402 2.4 24.1 1.0 O A:HOH1425 2.6 21.7 1.0 PG A:ATP1380 3.4 28.9 1.0 PB A:ATP1380 3.4 29.9 1.0 O3B A:ATP1380 3.8 29.6 1.0 O A:HOH1399 3.8 21.3 1.0 O3A A:ATP1380 3.9 29.3 1.0 O3G A:ATP1380 3.9 28.8 1.0 OD1 A:ASP154 4.3 44.1 1.0 NE2 A:GLN137 4.3 34.7 1.0 NZ A:LYS18 4.4 28.7 1.0 CA A:GLY13 4.5 37.7 1.0 O1A A:ATP1380 4.5 28.8 1.0 PA A:ATP1380 4.7 29.7 1.0 OD1 A:ASP11 4.7 39.1 1.0 OD2 A:ASP11 4.7 36.2 1.0 O1G A:ATP1380 4.8 30.4 1.0 O2B A:ATP1380 4.8 29.8 1.0 CD A:GLN137 4.9 36.9 1.0 OD2 A:ASP154 5.0 43.3 1.0

Calcium binding site 2 out of 2 in the Ternary Complex of the WH2 Domain of Wip with Actin-Dnase I


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Ternary Complex of the WH2 Domain of Wip with Actin-Dnase I within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1273 b:27.2 occ:1.00 O B:HOH1281 2.4 33.2 1.0 O B:THR207 2.4 27.1 1.0 O B:THR203 2.4 29.6 1.0 OD2 B:ASP201 2.4 28.8 1.0 O B:HOH1287 2.5 25.9 1.0 O B:THR205 2.5 27.6 1.0 OD1 B:ASP201 2.5 30.0 1.0 OG1 B:THR203 2.5 28.6 1.0 CG B:ASP201 2.8 29.0 1.0 C B:THR203 3.3 29.7 1.0 C B:THR207 3.6 27.9 1.0 C B:THR205 3.7 27.6 1.0 CB B:THR203 3.7 28.2 1.0 CA B:THR203 3.9 29.1 1.0 N B:THR205 3.9 28.7 1.0 N B:THR203 4.1 29.4 1.0 N B:THR207 4.2 27.7 1.0 CB B:ASP201 4.3 28.7 1.0 N B:ALA204 4.3 29.0 1.0 C B:ALA204 4.4 29.0 1.0 C B:SER206 4.4 28.1 1.0 CA B:THR205 4.4 27.9 1.0 CA B:THR207 4.5 28.0 1.0 N B:ASN208 4.5 29.1 1.0 CA B:ALA204 4.6 29.3 1.0 CA B:ASN208 4.6 28.9 1.0 N B:SER206 4.7 27.4 1.0 OG1 B:THR207 4.7 28.7 1.0 OG1 B:THR205 4.7 28.3 1.0 CG2 B:THR203 4.8 28.7 1.0 OH B:TYR253 4.8 26.4 1.0 CA B:SER206 4.9 27.4 1.0 O B:SER206 4.9 27.8 1.0 CE2 B:TYR253 4.9 26.8 1.0

D.Chereau, F.Kerff, P.Graceffa, Z.Grabarek, K.Langsetmo, R.Dominguez. Actin-Bound Structures of Wiskott-Aldrich Syndrome Protein (Wasp)-Homology Domain 2 and the Implications For Filament Assembly Proc.Natl.Acad.Sci.Usa V. 102 16644 2005.
ISSN: ISSN 0027-8424
PubMed: 16275905
DOI: 10.1073/PNAS.0507021102