Magnesium in PDB 2a40: Ternary Complex of the WH2 Domain of Wave with Actin-Dnase I

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

The structure of Ternary Complex of the WH2 Domain of Wave with Actin-Dnase I, PDB code: 2a40 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)	47.51 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	118.719, 41.598, 153.048, 90.00, 108.79, 90.00
R / Rfree (%)	16.6 / 21.5

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

Calcium

(Ca)

4 atoms

The binding sites of Magnesium atom in the Ternary Complex of the WH2 Domain of Wave with Actin-Dnase I (pdb code 2a40). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Ternary Complex of the WH2 Domain of Wave with Actin-Dnase I, PDB code: 2a40:
Jump to Magnesium binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ternary Complex of the WH2 Domain of Wave with Actin-Dnase I within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1274 b:32.2 occ:1.00 OD2 B:ASP172 2.3 28.1 1.0 O B:HOH1409 2.3 24.7 1.0 O B:ASP198 2.3 27.0 1.0 O B:HOH1490 2.4 26.7 1.0 O B:HOH1493 2.5 26.5 1.0 O B:HOH1492 2.5 35.8 1.0 CG B:ASP172 3.3 32.9 1.0 OD1 B:ASP172 3.5 34.1 1.0 C B:ASP198 3.5 26.6 1.0 N B:ALA210 4.1 21.9 1.0 O B:ASN208 4.2 24.8 1.0 CA B:SER199 4.3 28.2 1.0 O B:HOH1422 4.3 29.6 1.0 N B:SER199 4.4 28.9 1.0 CB B:ALA210 4.4 26.6 1.0 C B:SER199 4.5 29.0 1.0 CA B:ASP198 4.5 26.5 1.0 O B:HOH1550 4.6 46.2 1.0 CA B:CYS209 4.6 23.5 1.0 O B:ALA200 4.6 25.9 1.0 CB B:ASP172 4.6 27.4 1.0 O B:SER199 4.7 29.5 1.0 CB B:ASP198 4.8 30.7 1.0 C B:CYS209 4.8 25.5 1.0 ND2 B:ASN208 4.8 26.5 1.0 C B:ASN208 4.9 23.8 1.0 CA B:ALA210 4.9 25.0 1.0 OD1 B:ASN208 5.0 24.2 1.0

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


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ternary Complex of the WH2 Domain of Wave with Actin-Dnase I within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg1275 b:27.2 occ:1.00 OD2 E:ASP172 2.3 26.8 1.0 O E:HOH1280 2.3 21.7 1.0 O E:ASP198 2.3 26.8 1.0 O E:HOH1372 2.3 27.8 1.0 O E:HOH1373 2.4 40.8 1.0 O E:HOH1371 2.6 28.2 1.0 CG E:ASP172 3.3 31.8 1.0 OD1 E:ASP172 3.5 31.9 1.0 C E:ASP198 3.5 26.4 1.0 N E:ALA210 4.1 21.8 1.0 CA E:SER199 4.2 27.1 1.0 O E:HOH1295 4.2 31.5 1.0 O E:ASN208 4.2 24.8 1.0 N E:SER199 4.3 27.4 1.0 C E:SER199 4.5 29.4 1.0 O E:ALA200 4.5 24.1 1.0 CA E:CYS209 4.6 21.5 1.0 CB E:ALA210 4.6 20.9 1.0 CA E:ASP198 4.6 27.0 1.0 O E:HOH1374 4.6 44.1 1.0 CB E:ASP172 4.7 25.8 1.0 O E:HOH1450 4.7 46.0 1.0 ND2 E:ASN208 4.7 23.9 1.0 C E:CYS209 4.8 22.9 1.0 O E:SER199 4.8 27.8 1.0 CB E:ASP198 4.9 28.9 1.0 C E:ASN208 4.9 25.8 1.0 OD1 E:ASN208 5.0 24.9 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