Magnesium in PDB 1nf3: Structure of CDC42 in A Complex with the Gtpase-Binding Domain of the Cell Polarity Protein, PAR6

The structure of Structure of CDC42 in A Complex with the Gtpase-Binding Domain of the Cell Polarity Protein, PAR6, PDB code: 1nf3 was solved by S.M.Garrard, C.T.Capaldo, L.Gao, M.K.Rosen, I.G.Macara, D.R.Tomchick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.17 / 2.10
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	41.744, 53.787, 79.521, 81.55, 76.59, 90.04
R / Rfree (%)	21.9 / 27.3

The binding sites of Magnesium atom in the Structure of CDC42 in A Complex with the Gtpase-Binding Domain of the Cell Polarity Protein, PAR6 (pdb code 1nf3). 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 CDC42 in A Complex with the Gtpase-Binding Domain of the Cell Polarity Protein, PAR6, PDB code: 1nf3:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of CDC42 in A Complex with the Gtpase-Binding Domain of the Cell Polarity Protein, PAR6


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of CDC42 in A Complex with the Gtpase-Binding Domain of the Cell Polarity Protein, PAR6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:20.1 occ:1.00 O2G A:GNP200 2.0 19.5 1.0 O1B A:GNP200 2.0 15.2 1.0 O A:HOH501 2.0 17.5 1.0 O A:HOH500 2.1 18.2 1.0 OG1 A:THR35 2.1 16.0 1.0 OG1 A:THR17 2.3 19.9 1.0 PG A:GNP200 3.2 20.4 1.0 CB A:THR35 3.2 18.5 1.0 PB A:GNP200 3.3 18.1 1.0 CB A:THR17 3.3 18.1 1.0 N3B A:GNP200 3.3 17.1 1.0 N A:THR35 3.7 20.6 1.0 O2A A:GNP200 3.9 20.4 1.0 O1G A:GNP200 3.9 22.3 1.0 N A:THR17 3.9 13.8 1.0 CA A:THR35 4.0 17.0 1.0 O3A A:GNP200 4.1 19.6 1.0 OD2 A:ASP57 4.2 21.6 1.0 CA A:THR17 4.2 16.3 1.0 O2B A:GNP200 4.2 17.1 1.0 O3G A:GNP200 4.3 16.2 1.0 OD1 A:ASP57 4.3 22.3 1.0 O A:VAL33 4.4 26.2 1.0 CG2 A:THR35 4.4 14.7 1.0 CG2 A:THR17 4.4 16.8 1.0 O A:THR58 4.5 16.8 1.0 PA A:GNP200 4.5 18.0 1.0 CG A:ASP57 4.6 21.8 1.0 C A:PRO34 4.7 20.4 1.0 O1A A:GNP200 4.7 14.5 1.0 CB A:LYS16 4.8 8.9 1.0 CA A:PRO34 5.0 23.8 1.0 NZ A:LYS16 5.0 15.9 1.0

Magnesium binding site 2 out of 2 in the Structure of CDC42 in A Complex with the Gtpase-Binding Domain of the Cell Polarity Protein, PAR6


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of CDC42 in A Complex with the Gtpase-Binding Domain of the Cell Polarity Protein, PAR6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg203 b:20.8 occ:1.00 OG1 B:THR35 2.0 20.6 1.0 O2G B:GNP202 2.0 19.2 1.0 O B:HOH503 2.0 18.5 1.0 O1B B:GNP202 2.0 16.2 1.0 O B:HOH502 2.1 19.5 1.0 OG1 B:THR17 2.3 24.5 1.0 CB B:THR35 3.1 21.6 1.0 PG B:GNP202 3.2 19.6 1.0 PB B:GNP202 3.3 19.3 1.0 CB B:THR17 3.3 22.4 1.0 N3B B:GNP202 3.3 18.5 1.0 N B:THR35 3.7 20.7 1.0 N B:THR17 3.9 19.9 1.0 O2A B:GNP202 3.9 20.8 1.0 CA B:THR35 4.0 19.1 1.0 O1G B:GNP202 4.0 20.8 1.0 OD2 B:ASP57 4.2 19.9 1.0 O3A B:GNP202 4.2 20.0 1.0 CA B:THR17 4.2 20.5 1.0 CG2 B:THR35 4.2 20.4 1.0 O2B B:GNP202 4.2 17.2 1.0 OD1 B:ASP57 4.3 19.3 1.0 O3G B:GNP202 4.3 15.8 1.0 O B:VAL33 4.5 28.5 1.0 CG2 B:THR17 4.5 22.2 1.0 CG B:ASP57 4.5 20.9 1.0 O B:THR58 4.6 16.1 1.0 PA B:GNP202 4.6 20.4 1.0 CB B:LYS16 4.7 11.8 1.0 C B:PRO34 4.7 21.8 1.0 O1A B:GNP202 4.8 16.8 1.0 NZ B:LYS16 4.8 10.5 1.0 CE B:LYS16 4.9 16.2 1.0 C B:LYS16 4.9 18.0 1.0

S.M.Garrard, C.T.Capaldo, L.Gao, M.K.Rosen, I.G.Macara, D.R.Tomchick. Structure of CDC42 in A Complex with the Gtpase-Binding Domain of the Cell Polarity Protein, PAR6 Embo J. V. 22 1125 2003.
ISSN: ISSN 0261-4189
PubMed: 12606577
DOI: 10.1093/EMBOJ/CDG110