Magnesium in PDB 4b1v: Structure of the PHACTR1 Rpel-N Domain Bound to G-Actin

The structure of Structure of the PHACTR1 Rpel-N Domain Bound to G-Actin, PDB code: 4b1v was solved by S.Mouilleron, M.Wiezlak, N.O'reilly, R.Treisman, N.Q.Mcdonald, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.28 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.121, 75.924, 122.451, 90.00, 97.01, 90.00
R / Rfree (%)	18 / 22.1

The binding sites of Magnesium atom in the Structure of the PHACTR1 Rpel-N Domain Bound to G-Actin (pdb code 4b1v). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of the PHACTR1 Rpel-N Domain Bound to G-Actin, PDB code: 4b1v:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of the PHACTR1 Rpel-N Domain Bound to G-Actin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the PHACTR1 Rpel-N Domain Bound to G-Actin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1378 b:7.7 occ:1.00 O1B A:ATP1377 2.0 7.2 1.0 O A:HOH2002 2.0 4.1 1.0 O A:HOH2003 2.0 8.5 1.0 O2G A:ATP1377 2.1 7.4 1.0 O A:HOH2281 2.1 11.5 1.0 O A:HOH2094 2.2 8.5 1.0 PB A:ATP1377 3.3 8.7 1.0 PG A:ATP1377 3.3 9.2 1.0 O3B A:ATP1377 3.6 9.9 1.0 O A:HOH2109 3.8 16.8 1.0 O A:HOH2006 3.9 12.9 1.0 O A:HOH2110 4.0 11.3 1.0 O1G A:ATP1377 4.0 10.5 1.0 O3A A:ATP1377 4.1 8.2 1.0 O1A A:ATP1377 4.1 8.2 1.0 NZ A:LYS18 4.2 9.4 1.0 O A:HOH2012 4.2 14.1 1.0 OD2 A:ASP11 4.2 8.5 1.0 OE1 A:GLN137 4.3 7.1 1.0 O2B A:ATP1377 4.5 12.1 1.0 OD1 A:ASP11 4.5 9.8 1.0 CA A:GLY13 4.5 7.9 1.0 O3G A:ATP1377 4.5 12.4 1.0 PA A:ATP1377 4.6 11.0 1.0 CD A:GLN137 4.6 12.7 1.0 OD2 A:ASP154 4.6 20.6 1.0 CG A:ASP11 4.8 12.7 1.0 CA A:GLY156 4.9 6.7 1.0 CE A:LYS18 5.0 9.6 1.0

Magnesium binding site 2 out of 2 in the Structure of the PHACTR1 Rpel-N Domain Bound to G-Actin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the PHACTR1 Rpel-N Domain Bound to G-Actin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1378 b:9.6 occ:1.00 O1B B:ATP1377 2.0 8.7 1.0 O B:HOH2003 2.1 8.6 1.0 O2G B:ATP1377 2.1 8.9 1.0 O B:HOH2283 2.1 7.8 1.0 O B:HOH2005 2.2 7.6 1.0 O B:HOH2100 2.2 8.7 1.0 PB B:ATP1377 3.2 7.8 1.0 PG B:ATP1377 3.3 9.3 1.0 O3B B:ATP1377 3.6 7.8 1.0 O B:HOH2121 3.8 18.2 1.0 O1A B:ATP1377 3.9 11.9 1.0 O B:HOH2011 4.0 16.7 1.0 O B:HOH2006 4.0 10.0 1.0 O3A B:ATP1377 4.0 6.0 1.0 O1G B:ATP1377 4.0 8.4 1.0 O B:HOH2120 4.1 10.9 1.0 NZ B:LYS18 4.3 12.4 1.0 OD2 B:ASP11 4.3 8.6 1.0 OE1 B:GLN137 4.4 11.7 1.0 PA B:ATP1377 4.5 11.1 1.0 O2B B:ATP1377 4.5 9.7 1.0 OD1 B:ASP11 4.5 6.9 1.0 O3G B:ATP1377 4.5 9.7 1.0 CA B:GLY13 4.5 9.1 1.0 OD2 B:ASP154 4.6 19.1 1.0 CD B:GLN137 4.7 9.4 1.0 O B:HOH2099 4.8 32.7 1.0 CG B:ASP11 4.8 8.1 1.0 CA B:GLY156 4.9 8.0 1.0 O2A B:ATP1377 4.9 10.6 1.0

S.Mouilleron, M.Wiezlak, N.O'reilly, R.Treisman, N.Q.Mcdonald. Structures of the PHACTR1 Rpel Domain and Rpel Motif Complexes with G-Actin Reveal the Molecular Basis For Actin Binding Cooperativity. Structure V. 20 1960 2012.
ISSN: ISSN 1878-4186
PubMed: 23041370
DOI: 10.1016/J.STR.2012.08.031