Magnesium in PDB 3nby: Crystal Structure of the Pki Nes-CRM1-Rangtp Nuclear Export Complex

The structure of Crystal Structure of the Pki Nes-CRM1-Rangtp Nuclear Export Complex, PDB code: 3nby was solved by T.Guttler, T.Madl, P.Neumann, D.Deichsel, L.Corsini, T.Monecke, R.Ficner, M.Sattler, D.Gorlich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.63 / 3.42
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.090, 223.726, 163.064, 90.00, 100.63, 90.00
R / Rfree (%)	25.8 / 31.5

The binding sites of Magnesium atom in the Crystal Structure of the Pki Nes-CRM1-Rangtp Nuclear Export Complex (pdb code 3nby). 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 Pki Nes-CRM1-Rangtp Nuclear Export Complex, PDB code: 3nby:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Pki Nes-CRM1-Rangtp Nuclear Export Complex


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 Pki Nes-CRM1-Rangtp Nuclear Export Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg218 b:0.0 occ:1.00 O3G C:GTP217 2.0 17.2 1.0 O2B C:GTP217 2.3 25.9 1.0 PB C:GTP217 3.1 48.2 1.0 PG C:GTP217 3.3 63.9 1.0 OH C:TYR39 3.3 36.8 1.0 O1B C:GTP217 3.4 37.8 1.0 O3B C:GTP217 3.6 47.0 1.0 N C:GLY68 3.7 26.4 1.0 CB C:ALA41 3.9 21.7 1.0 N C:GLY20 3.9 28.2 1.0 CA C:GLY19 4.0 24.5 1.0 CA C:ALA41 4.0 39.7 1.0 CE1 C:TYR39 4.1 30.9 1.0 N C:THR42 4.1 11.5 1.0 CZ C:TYR39 4.2 48.5 1.0 O1G C:GTP217 4.2 28.1 1.0 CA C:GLY68 4.2 28.9 1.0 O2G C:GTP217 4.3 43.2 1.0 NZ C:LYS23 4.4 31.3 1.0 C C:GLY19 4.5 29.3 1.0 N C:LEU69 4.5 21.2 1.0 C C:ALA41 4.5 27.1 1.0 O3A C:GTP217 4.6 29.6 1.0 O C:ASP18 4.7 26.1 1.0 C C:ALA67 4.7 34.2 1.0 CG C:LEU69 4.7 24.9 1.0 CE C:LYS23 4.7 31.1 1.0 O C:THR42 4.8 19.6 1.0 CA C:ALA67 4.8 28.1 1.0 C C:GLY68 4.9 36.1 1.0 N C:GLY19 4.9 16.0 1.0 O1A C:GTP217 5.0 21.1 1.0 CD1 C:LEU69 5.0 50.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Pki Nes-CRM1-Rangtp Nuclear Export Complex


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 Pki Nes-CRM1-Rangtp Nuclear Export Complex within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg218 b:6.8 occ:1.00 O1B F:GTP217 2.4 24.6 1.0 OG1 F:THR24 2.4 21.7 1.0 O1G F:GTP217 2.6 29.2 1.0 OG1 F:THR42 2.6 27.7 1.0 O3G F:GTP217 2.8 26.9 1.0 OD1 F:ASP65 3.2 31.5 1.0 PG F:GTP217 3.2 26.0 1.0 CB F:THR42 3.3 19.3 1.0 CB F:THR24 3.4 23.1 1.0 PB F:GTP217 3.5 30.5 1.0 O F:THR66 3.8 22.1 1.0 N F:THR24 3.8 34.7 1.0 O3B F:GTP217 3.8 24.8 1.0 CG F:ASP65 4.0 38.6 1.0 O2B F:GTP217 4.0 14.9 1.0 OD2 F:ASP65 4.0 33.8 1.0 N F:THR42 4.0 13.9 1.0 CA F:THR24 4.1 32.0 1.0 CA F:THR42 4.3 12.1 1.0 CG2 F:THR42 4.4 23.8 1.0 CB F:LYS23 4.4 16.6 1.0 O2G F:GTP217 4.6 9.4 1.0 CE F:LYS23 4.6 26.4 1.0 CG2 F:THR24 4.7 26.2 1.0 NZ F:LYS23 4.7 27.6 1.0 O3A F:GTP217 4.8 29.0 1.0 C F:THR66 4.8 15.0 1.0 C F:LYS23 4.8 23.3 1.0 O1A F:GTP217 4.9 35.8 1.0 O2A F:GTP217 4.9 18.7 1.0 CA F:ALA67 5.0 24.7 1.0

T.Guttler, T.Madl, P.Neumann, D.Deichsel, L.Corsini, T.Monecke, R.Ficner, M.Sattler, D.Gorlich. Nes Consensus Redefined By Structures of Pki-Type and Rev-Type Nuclear Export Signals Bound to CRM1. Nat.Struct.Mol.Biol. V. 17 1367 2010.
ISSN: ISSN 1545-9993
PubMed: 20972448
DOI: 10.1038/NSMB.1931