Magnesium in PDB 4js0: Complex of CDC42 with the Crib-Pr Domain of IRSP53

The structure of Complex of CDC42 with the Crib-Pr Domain of IRSP53, PDB code: 4js0 was solved by D.J.Kast, R.Dominguez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.30 / 1.90
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.230, 67.230, 79.750, 90.00, 90.00, 90.00
R / Rfree (%)	14.6 / 19.9

The binding sites of Magnesium atom in the Complex of CDC42 with the Crib-Pr Domain of IRSP53 (pdb code 4js0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Complex of CDC42 with the Crib-Pr Domain of IRSP53, PDB code: 4js0:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Complex of CDC42 with the Crib-Pr Domain of IRSP53


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Complex of CDC42 with the Crib-Pr Domain of IRSP53 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:14.8 occ:1.00 O2G A:GNP201 2.0 12.3 1.0 O A:HOH302 2.0 11.6 1.0 O1B A:GNP201 2.1 10.4 1.0 OG1 A:THR35 2.1 14.5 1.0 O A:HOH304 2.1 12.7 1.0 OG1 A:THR17 2.1 15.9 1.0 HB A:THR35 3.0 18.2 1.0 HB A:THR17 3.0 22.4 1.0 CB A:THR35 3.1 15.2 1.0 CB A:THR17 3.2 18.6 1.0 PG A:GNP201 3.2 13.0 1.0 PB A:GNP201 3.2 10.4 1.0 H A:THR35 3.2 19.2 1.0 H A:THR17 3.3 14.5 1.0 N3B A:GNP201 3.4 16.3 1.0 N A:THR35 3.8 16.0 1.0 HB2 A:LYS16 3.9 14.8 1.0 N A:THR17 3.9 12.1 1.0 HG21 A:THR35 4.0 18.7 1.0 O A:HOH342 4.1 29.3 1.0 O1G A:GNP201 4.1 12.0 1.0 HG21 A:THR17 4.1 16.4 1.0 OD2 A:ASP57 4.1 13.7 1.0 CA A:THR35 4.1 16.3 1.0 HE2 A:LYS16 4.1 17.5 1.0 OD1 A:ASP57 4.1 19.9 1.0 CA A:THR17 4.1 15.3 1.0 CG2 A:THR35 4.2 15.6 1.0 O2A A:GNP201 4.2 14.5 1.0 O3A A:GNP201 4.2 10.3 1.0 CG2 A:THR17 4.2 13.7 1.0 O2B A:GNP201 4.3 9.6 1.0 O3G A:GNP201 4.3 14.6 1.0 HE1 A:TYR32 4.4 17.8 1.0 HA A:PRO34 4.4 20.3 1.0 HA A:THR17 4.4 18.4 1.0 O A:VAL33 4.5 16.7 1.0 CG A:ASP57 4.5 19.3 1.0 O A:THR58 4.5 14.2 1.0 PA A:GNP201 4.6 13.2 1.0 HA A:THR35 4.6 19.5 1.0 O A:HOH347 4.6 30.4 1.0 HG23 A:THR17 4.6 16.4 1.0 HG23 A:THR35 4.6 18.7 1.0 HZ2 A:LYS16 4.6 17.6 1.0 O1A A:GNP201 4.7 14.0 1.0 HZ1 A:LYS16 4.7 17.6 1.0 CB A:LYS16 4.8 12.3 1.0 C A:PRO34 4.8 17.8 1.0 HG22 A:THR35 4.9 18.7 1.0 CE A:LYS16 4.9 14.6 1.0 HG22 A:THR17 5.0 16.4 1.0 H A:LYS16 5.0 15.2 1.0 NZ A:LYS16 5.0 14.6 1.0 C A:LYS16 5.0 12.0 1.0

Magnesium binding site 2 out of 2 in the Complex of CDC42 with the Crib-Pr Domain of IRSP53


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Complex of CDC42 with the Crib-Pr Domain of IRSP53 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg203 b:36.9 occ:1.00 O A:HOH384 2.0 31.8 1.0 O A:HOH385 2.0 34.9 1.0 O A:HOH372 2.1 27.6 1.0 O A:HOH346 2.1 30.7 1.0 O A:HOH414 2.1 46.6 1.0 O A:HOH341 2.2 31.1 1.0 HB3 A:GLN74 3.5 35.5 0.6 HB3 A:GLN74 3.6 34.9 0.4 HG1 A:THR3 3.7 29.2 1.0 O A:GLN74 4.0 23.8 1.0 OD2 A:ASP76 4.0 23.1 1.0 OG1 A:THR3 4.1 24.3 1.0 OD1 A:ASP76 4.2 23.5 1.0 O A:HOH348 4.4 35.7 1.0 CB A:GLN74 4.5 29.6 0.6 HG2 A:GLN74 4.5 41.2 0.4 CB A:GLN74 4.5 29.1 0.4 CG A:ASP76 4.5 22.4 1.0 HB2 A:GLN74 4.8 35.5 0.6 OE1 A:GLN74 4.8 49.7 0.6 HB3 A:LYS5 4.9 21.3 1.0 CG A:GLN74 5.0 34.4 0.4 C A:GLN74 5.0 25.3 1.0

D.J.Kast, C.Yang, A.Disanza, M.Boczkowska, Y.Madasu, G.Scita, T.Svitkina, R.Dominguez. Mechanism of IRSP53 Inhibition and Combinatorial Activation By CDC42 and Downstream Effectors. Nat.Struct.Mol.Biol. V. 21 413 2014.
ISSN: ISSN 1545-9993
PubMed: 24584464
DOI: 10.1038/NSMB.2781