Magnesium in PDB 3kuc: Complex of RAP1A(E30D/K31E)Gdp with Rafrbd(A85K/N71R)

All present enzymatic activity of Complex of RAP1A(E30D/K31E)Gdp with Rafrbd(A85K/N71R):
2.7.11.1;

The structure of Complex of RAP1A(E30D/K31E)Gdp with Rafrbd(A85K/N71R), PDB code: 3kuc was solved by D.Filchtinski, O.Sharabi, A.Rueppel, I.R.Vetter, C.Herrmann, J.M.Shifman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.50 / 1.92
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.120, 68.540, 101.630, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 20.9

The structure of Complex of RAP1A(E30D/K31E)Gdp with Rafrbd(A85K/N71R) also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Magnesium atom in the Complex of RAP1A(E30D/K31E)Gdp with Rafrbd(A85K/N71R) (pdb code 3kuc). 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 Complex of RAP1A(E30D/K31E)Gdp with Rafrbd(A85K/N71R), PDB code: 3kuc:

Magnesium binding site 1 out of 1 in the Complex of RAP1A(E30D/K31E)Gdp with Rafrbd(A85K/N71R)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Complex of RAP1A(E30D/K31E)Gdp with Rafrbd(A85K/N71R) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg171 b:19.6 occ:1.00 O2B A:GDP170 2.0 16.5 1.0 OG A:SER17 2.1 18.0 1.0 O A:HOH204 2.1 19.1 1.0 O A:HOH231 2.1 21.4 1.0 O A:HOH202 2.1 17.8 1.0 OG1 A:THR35 2.2 18.1 1.0 CB A:THR35 3.1 18.1 1.0 PB A:GDP170 3.2 17.6 1.0 CB A:SER17 3.2 17.5 1.0 O3B A:GDP170 3.4 18.4 1.0 N A:THR35 3.9 21.1 1.0 N A:SER17 3.9 15.9 1.0 OD2 A:ASP57 4.0 25.1 1.0 CA A:THR35 4.1 19.3 1.0 OD1 A:ASP57 4.1 26.2 1.0 O1A A:GDP170 4.1 22.6 1.0 O A:HOH201 4.1 30.8 1.0 CA A:SER17 4.1 17.8 1.0 O A:HOH275 4.2 36.9 1.0 CG2 A:THR35 4.2 18.6 1.0 O3A A:GDP170 4.3 16.9 1.0 O1B A:GDP170 4.3 17.4 1.0 CG A:ASP57 4.4 24.3 1.0 O A:THR58 4.5 23.6 1.0 O A:ASP33 4.5 23.5 1.0 PA A:GDP170 4.6 19.9 1.0 O2A A:GDP170 4.7 20.7 1.0 NZ A:LYS16 4.8 23.4 1.0 CB A:LYS16 4.8 16.5 1.0 C A:PRO34 4.9 23.2 1.0 O A:HOH242 4.9 29.0 1.0 C A:LYS16 4.9 18.6 1.0

D.Filchtinski, O.Sharabi, A.Ruppel, I.R.Vetter, C.Herrmann, J.M.Shifman. What Makes Ras An Efficient Molecular Switch: A Computational, Biophysical, and Structural Study of Ras-Gdp Interactions with Mutants of Raf. J.Mol.Biol. V. 399 422 2010.
ISSN: ISSN 0022-2836
PubMed: 20361980
DOI: 10.1016/J.JMB.2010.03.046