Magnesium in PDB 3kz1: Crystal Structure of the Complex of Pdz-Rhogef Dh/pH Domains with Gtp- Gamma-S Activated Rhoa

The structure of Crystal Structure of the Complex of Pdz-Rhogef Dh/pH Domains with Gtp- Gamma-S Activated Rhoa, PDB code: 3kz1 was solved by Z.Chen, P.C.Sternweis, S.R.Sprang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.45 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	98.166, 111.836, 138.390, 90.00, 90.00, 90.00
R / Rfree (%)	23.4 / 28.3

The binding sites of Magnesium atom in the Crystal Structure of the Complex of Pdz-Rhogef Dh/pH Domains with Gtp- Gamma-S Activated Rhoa (pdb code 3kz1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the Complex of Pdz-Rhogef Dh/pH Domains with Gtp- Gamma-S Activated Rhoa, PDB code: 3kz1:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Complex of Pdz-Rhogef Dh/pH Domains with Gtp- Gamma-S Activated Rhoa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Complex of Pdz-Rhogef Dh/pH Domains with Gtp- Gamma-S Activated Rhoa within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg550 b:59.4 occ:1.00 OG1 E:THR37 1.9 59.7 1.0 OG1 E:THR19 2.0 60.2 1.0 O2G E:GSP538 2.1 57.6 1.0 O2B E:GSP538 2.4 58.4 1.0 CB E:THR37 2.8 60.0 1.0 PG E:GSP538 3.3 60.3 1.0 CB E:THR19 3.4 59.8 1.0 OD2 E:ASP59 3.6 51.0 1.0 O3G E:GSP538 3.6 55.9 1.0 PB E:GSP538 3.6 61.1 1.0 OD1 E:ASP59 3.7 50.7 1.0 CG2 E:THR37 3.7 58.6 1.0 N E:THR19 3.8 58.4 1.0 O3B E:GSP538 3.8 61.8 1.0 O E:THR60 3.8 50.2 1.0 N E:THR37 3.8 66.2 1.0 CA E:THR37 3.9 63.4 1.0 CG E:ASP59 3.9 49.2 1.0 CA E:THR19 4.1 58.0 1.0 CG2 E:THR19 4.2 59.5 1.0 O1B E:GSP538 4.5 56.4 1.0 O2A E:GSP538 4.5 63.0 1.0 CB E:LYS18 4.5 56.1 1.0 CE E:LYS18 4.8 53.8 1.0 S1G E:GSP538 4.8 62.3 1.0 O3A E:GSP538 4.8 63.1 1.0 C E:LYS18 4.9 57.3 1.0 O E:VAL35 4.9 72.6 1.0 C E:THR37 4.9 63.5 1.0 O1A E:GSP538 4.9 64.0 1.0 C E:THR60 4.9 50.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Complex of Pdz-Rhogef Dh/pH Domains with Gtp- Gamma-S Activated Rhoa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Complex of Pdz-Rhogef Dh/pH Domains with Gtp- Gamma-S Activated Rhoa within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg550 b:57.9 occ:1.00 OG1 F:THR19 2.0 61.9 1.0 OG1 F:THR37 2.2 59.5 1.0 O2G F:GSP538 2.2 61.7 1.0 O2B F:GSP538 2.3 60.3 1.0 CB F:THR37 3.0 58.4 1.0 OD1 F:ASP59 3.2 51.1 1.0 O F:HOH206 3.2 43.9 1.0 OD2 F:ASP59 3.3 55.4 1.0 CB F:THR19 3.4 63.7 1.0 PG F:GSP538 3.4 67.3 1.0 O F:THR60 3.4 53.7 1.0 PB F:GSP538 3.5 68.2 1.0 N F:THR19 3.5 65.7 1.0 O3G F:GSP538 3.6 64.4 1.0 CG F:ASP59 3.6 52.1 1.0 CG2 F:THR37 3.9 55.3 1.0 CA F:THR19 3.9 63.0 1.0 O3B F:GSP538 3.9 68.3 1.0 O1B F:GSP538 4.1 65.3 1.0 CB F:LYS18 4.1 66.5 1.0 CA F:THR37 4.3 59.9 1.0 N F:THR37 4.3 63.9 1.0 CG2 F:THR19 4.4 62.0 1.0 C F:LYS18 4.4 66.4 1.0 CE F:LYS18 4.4 62.1 1.0 NZ F:LYS18 4.6 62.6 1.0 C F:THR60 4.6 51.7 1.0 CA F:LYS18 4.7 68.4 1.0 O3A F:GSP538 4.8 71.5 1.0 S1G F:GSP538 4.9 65.7 1.0

Z.Chen, F.Medina, M.Y.Liu, C.Thomas, S.R.Sprang, P.C.Sternweis. Activated Rhoa Binds to the Pleckstrin Homology (pH) Domain of Pdz-Rhogef, A Potential Site For Autoregulation. J.Biol.Chem. V. 285 21070 2010.
ISSN: ISSN 0021-9258
PubMed: 20430886
DOI: 10.1074/JBC.M110.122549