Magnesium in PDB 4b1w: Structure of the PHACTR1 Rpel-2 Domain Bound to Actin

The structure of Structure of the PHACTR1 Rpel-2 Domain Bound to Actin, PDB code: 4b1w 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)	31.73 / 1.95
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	128.220, 128.220, 135.470, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 21.3

The binding sites of Magnesium atom in the Structure of the PHACTR1 Rpel-2 Domain Bound to Actin (pdb code 4b1w). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Structure of the PHACTR1 Rpel-2 Domain Bound to Actin, PDB code: 4b1w:

Magnesium binding site 1 out of 1 in the Structure of the PHACTR1 Rpel-2 Domain Bound to 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-2 Domain Bound to Actin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1378 b:9.8 occ:1.00 O1G B:ATP1377 2.0 7.4 1.0 O1B B:ATP1377 2.0 6.2 1.0 O B:HOH2003 2.1 7.7 1.0 O B:HOH2001 2.1 5.2 1.0 O B:HOH2103 2.2 6.8 1.0 O B:HOH2118 2.2 9.3 1.0 PG B:ATP1377 3.2 9.3 1.0 PB B:ATP1377 3.3 7.2 1.0 O3B B:ATP1377 3.5 7.6 1.0 O B:HOH2117 3.9 11.1 1.0 O3A B:ATP1377 4.0 4.3 1.0 O B:HOH2004 4.0 9.0 1.0 O3G B:ATP1377 4.0 6.9 1.0 O2A B:ATP1377 4.0 8.6 1.0 O B:HOH2256 4.1 18.9 1.0 OE1 B:GLN137 4.2 14.3 1.0 OD1 B:ASP154 4.3 9.0 1.0 O2G B:ATP1377 4.4 7.9 1.0 OD2 B:ASP11 4.4 13.8 1.0 OD2 B:ASP154 4.4 8.7 1.0 PA B:ATP1377 4.5 8.4 1.0 NZ B:LYS18 4.5 12.6 1.0 OD1 B:ASP11 4.6 10.6 1.0 O2B B:ATP1377 4.6 11.0 1.0 O B:HOH2101 4.6 14.4 1.0 CA B:GLY13 4.6 7.6 1.0 CD B:GLN137 4.6 11.2 1.0 CG B:ASP154 4.8 9.5 1.0 CA B:GLY156 4.8 8.5 1.0 CG B:ASP11 4.9 15.3 1.0 CG B:GLN137 5.0 10.1 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