Magnesium in PDB 4b1z: Structure of the PHACTR1 Rpel Domain Bound to G-Actin

The structure of Structure of the PHACTR1 Rpel Domain Bound to G-Actin, PDB code: 4b1z 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)	74.62 / 3.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	127.060, 142.890, 184.380, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 23.6

The binding sites of Magnesium atom in the Structure of the PHACTR1 Rpel Domain Bound to G-Actin (pdb code 4b1z). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Structure of the PHACTR1 Rpel Domain Bound to G-Actin, PDB code: 4b1z:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in the Structure of the PHACTR1 Rpel 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 Domain Bound to G-Actin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1377 b:42.1 occ:1.00 O1B A:ATP1376 2.4 99.1 1.0 O2G A:ATP1376 2.8 99.1 1.0 OD1 A:ASP154 3.7 72.6 1.0 OE1 A:GLN137 3.8 74.3 1.0 PB A:ATP1376 3.8 99.1 1.0 OD2 A:ASP154 3.9 74.2 1.0 OD2 A:ASP11 4.0 76.4 1.0 PG A:ATP1376 4.1 99.1 1.0 CG A:ASP154 4.2 72.7 1.0 CG2 A:VAL339 4.2 67.2 1.0 O1A A:ATP1376 4.2 99.1 1.0 CD A:GLN137 4.3 76.0 1.0 O3B A:ATP1376 4.3 99.1 1.0 OD1 A:ASP11 4.4 78.8 1.0 O1G A:ATP1376 4.6 99.1 1.0 O3A A:ATP1376 4.7 99.1 1.0 CG A:ASP11 4.7 78.5 1.0 CG A:GLN137 4.8 75.0 1.0 NZ A:LYS18 4.8 76.9 1.0 CB A:GLN137 4.9 71.8 1.0 O2B A:ATP1376 5.0 99.1 1.0 NE2 A:GLN137 5.0 79.0 1.0

Magnesium binding site 2 out of 6 in the Structure of the PHACTR1 Rpel 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 Domain Bound to G-Actin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1377 b:39.3 occ:1.00 O1B B:ATP1376 2.5 81.0 1.0 O2G B:ATP1376 2.6 81.0 1.0 PG B:ATP1376 3.7 81.0 1.0 OE1 B:GLN137 3.8 60.5 1.0 O1G B:ATP1376 3.8 81.0 1.0 PB B:ATP1376 3.8 81.0 1.0 OD2 B:ASP11 3.9 73.4 1.0 OD1 B:ASP154 4.0 71.0 1.0 O1A B:ATP1376 4.0 81.0 1.0 OD2 B:ASP154 4.1 72.5 1.0 OD1 B:ASP11 4.2 73.9 1.0 CD B:GLN137 4.2 61.7 1.0 CG2 B:VAL339 4.2 63.7 1.0 O3B B:ATP1376 4.2 81.0 1.0 CG B:ASP11 4.5 74.1 1.0 CG B:ASP154 4.5 71.3 1.0 O3A B:ATP1376 4.5 81.0 1.0 NZ B:LYS18 4.6 64.5 1.0 CG B:GLN137 4.7 61.6 1.0 PA B:ATP1376 4.8 81.0 1.0 NE2 B:GLN137 4.8 63.1 1.0 CB B:GLN137 4.9 60.2 1.0 CB B:VAL339 4.9 64.8 1.0 CA B:GLY13 5.0 82.6 1.0

Magnesium binding site 3 out of 6 in the Structure of the PHACTR1 Rpel 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 3 of Structure of the PHACTR1 Rpel Domain Bound to G-Actin within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1377 b:44.3 occ:1.00 O1B C:ATP1376 2.5 84.7 1.0 O2G C:ATP1376 2.7 84.7 1.0 OD2 C:ASP11 3.8 59.5 1.0 PB C:ATP1376 3.9 84.7 1.0 O1A C:ATP1376 3.9 84.7 1.0 PG C:ATP1376 3.9 84.7 1.0 OE1 C:GLN137 3.9 72.2 1.0 OD1 C:ASP154 4.0 64.1 1.0 OD2 C:ASP154 4.1 64.7 1.0 O1G C:ATP1376 4.2 84.7 1.0 CG2 C:VAL339 4.2 56.8 1.0 O3B C:ATP1376 4.3 84.7 1.0 CD C:GLN137 4.3 72.7 1.0 NZ C:LYS18 4.3 58.3 1.0 OD1 C:ASP11 4.3 59.7 1.0 O3A C:ATP1376 4.4 84.7 1.0 CG C:ASP11 4.5 60.3 1.0 CG C:ASP154 4.5 64.3 1.0 PA C:ATP1376 4.7 84.7 1.0 CG C:GLN137 4.8 72.3 1.0 CB C:VAL339 4.9 57.4 1.0 NE2 C:GLN137 5.0 73.7 1.0 CB C:GLN137 5.0 71.5 1.0

Magnesium binding site 4 out of 6 in the Structure of the PHACTR1 Rpel 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 4 of Structure of the PHACTR1 Rpel Domain Bound to G-Actin within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1377 b:56.7 occ:1.00 O1B D:ATP1376 2.6 0.3 1.0 O2G D:ATP1376 2.9 0.3 1.0 OE1 D:GLN137 3.4 91.5 1.0 CD D:GLN137 3.7 91.5 1.0 OD2 D:ASP11 3.8 98.3 1.0 OD1 D:ASP11 4.0 96.6 1.0 PG D:ATP1376 4.0 0.3 1.0 PB D:ATP1376 4.0 0.3 1.0 OD2 D:ASP154 4.1 85.3 1.0 CG2 D:VAL339 4.2 80.6 1.0 OD1 D:ASP154 4.2 86.9 1.0 CG D:GLN137 4.2 91.5 1.0 O1G D:ATP1376 4.2 0.3 1.0 CG D:ASP11 4.3 97.4 1.0 NE2 D:GLN137 4.3 91.6 1.0 O3B D:ATP1376 4.5 0.3 1.0 CB D:GLN137 4.5 91.2 1.0 O1A D:ATP1376 4.6 0.3 1.0 CG D:ASP154 4.6 85.8 1.0 NZ D:LYS18 4.7 91.5 1.0 CB D:VAL339 4.8 81.9 1.0 CG1 D:VAL339 4.8 81.3 1.0 CA D:GLY13 4.9 0.3 1.0

Magnesium binding site 5 out of 6 in the Structure of the PHACTR1 Rpel 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 5 of Structure of the PHACTR1 Rpel Domain Bound to G-Actin within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg1377 b:50.7 occ:1.00 O1B E:ATP1376 2.8 0.4 1.0 O2G E:ATP1376 3.1 0.4 1.0 OD1 E:ASP154 3.5 80.4 1.0 O1A E:ATP1376 3.5 0.4 1.0 OD2 E:ASP154 3.9 80.3 1.0 CG2 E:VAL339 4.1 63.0 1.0 CG E:ASP154 4.1 80.2 1.0 OD2 E:ASP11 4.1 56.1 1.0 PB E:ATP1376 4.2 0.4 1.0 OE1 E:GLN137 4.3 76.8 1.0 PG E:ATP1376 4.4 0.4 1.0 NZ E:LYS18 4.4 59.1 1.0 O3A E:ATP1376 4.6 0.4 1.0 PA E:ATP1376 4.6 0.4 1.0 O3B E:ATP1376 4.7 0.4 1.0 CD E:GLN137 4.8 76.5 1.0 CA E:GLY156 4.8 74.1 1.0 CA E:GLY301 4.8 63.4 1.0 OD1 E:ASP11 4.8 55.1 1.0 CB E:VAL339 4.9 62.8 1.0 CG E:ASP11 4.9 56.1 1.0 O1G E:ATP1376 4.9 0.4 1.0

Magnesium binding site 6 out of 6 in the Structure of the PHACTR1 Rpel 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 6 of Structure of the PHACTR1 Rpel Domain Bound to G-Actin within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg1377 b:53.2 occ:1.00 O1B F:ATP1376 2.6 91.3 1.0 O2G F:ATP1376 2.9 91.3 1.0 OD1 F:ASP154 3.6 66.1 1.0 OD2 F:ASP154 3.8 66.9 1.0 OE1 F:GLN137 3.9 64.4 1.0 PB F:ATP1376 4.0 91.3 1.0 OD2 F:ASP11 4.0 62.9 1.0 O1A F:ATP1376 4.0 91.3 1.0 CG F:ASP154 4.1 66.3 1.0 CG2 F:VAL339 4.1 63.6 1.0 PG F:ATP1376 4.1 91.3 1.0 CD F:GLN137 4.4 65.3 1.0 O3B F:ATP1376 4.5 91.3 1.0 O1G F:ATP1376 4.6 91.3 1.0 OD1 F:ASP11 4.7 61.6 1.0 O3A F:ATP1376 4.7 91.3 1.0 NZ F:LYS18 4.7 67.9 1.0 CG F:ASP11 4.8 63.4 1.0 CG F:GLN137 4.8 65.3 1.0 CB F:VAL339 4.8 65.1 1.0 PA F:ATP1376 4.9 91.3 1.0 CB F:GLN137 4.9 64.2 1.0 CA F:GLY156 5.0 87.2 1.0 CG1 F:VAL339 5.0 66.0 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