Magnesium in PDB 6zrn: Crystal Structure of the RLIP76 Ral Binding Domain Mutant (E427S/L429M/Q433L/K440R) in Complex with Ralb-Gmppnp

The structure of Crystal Structure of the RLIP76 Ral Binding Domain Mutant (E427S/L429M/Q433L/K440R) in Complex with Ralb-Gmppnp, PDB code: 6zrn was solved by C.Hurd, P.Brear, J.Revell, S.Ross, H.Mott, D.Owen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.15 / 1.48
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.196, 77.517, 65.767, 90.00, 90.07, 90.00
R / Rfree (%)	20.9 / 23.9

The binding sites of Magnesium atom in the Crystal Structure of the RLIP76 Ral Binding Domain Mutant (E427S/L429M/Q433L/K440R) in Complex with Ralb-Gmppnp (pdb code 6zrn). 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 RLIP76 Ral Binding Domain Mutant (E427S/L429M/Q433L/K440R) in Complex with Ralb-Gmppnp, PDB code: 6zrn:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the RLIP76 Ral Binding Domain Mutant (E427S/L429M/Q433L/K440R) in Complex with Ralb-Gmppnp


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 RLIP76 Ral Binding Domain Mutant (E427S/L429M/Q433L/K440R) in Complex with Ralb-Gmppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:16.8 occ:1.00 O A:HOH331 2.0 17.5 1.0 O1G A:GNP201 2.0 17.3 1.0 OG A:SER28 2.1 19.4 1.0 O A:HOH328 2.1 18.0 1.0 O1B A:GNP201 2.1 15.6 1.0 OG1 A:THR46 2.1 20.2 1.0 CB A:THR46 3.1 22.4 1.0 CB A:SER28 3.1 15.3 1.0 PG A:GNP201 3.2 18.1 1.0 PB A:GNP201 3.3 17.1 1.0 N3B A:GNP201 3.5 17.2 1.0 N A:THR46 3.8 21.1 1.0 N A:SER28 3.9 15.1 1.0 O3G A:GNP201 3.9 19.5 1.0 OD2 A:ASP68 4.0 23.1 1.0 CA A:THR46 4.1 20.6 1.0 CA A:SER28 4.1 15.6 1.0 CG2 A:THR46 4.1 24.4 1.0 OD1 A:ASP68 4.1 28.2 1.0 O2A A:GNP201 4.1 19.8 1.0 O3 A:GOL203 4.2 26.8 1.0 O2B A:GNP201 4.3 18.5 1.0 O3A A:GNP201 4.3 16.5 1.0 O2G A:GNP201 4.4 19.4 1.0 CG A:ASP68 4.4 22.6 1.0 O A:THR69 4.5 23.7 1.0 O A:GLU44 4.5 23.3 1.0 C1 A:GOL203 4.5 37.0 1.0 PA A:GNP201 4.6 17.9 1.0 O1A A:GNP201 4.6 18.1 1.0 CB A:LYS27 4.8 14.4 1.0 C A:PRO45 4.8 26.9 1.0 C3 A:GOL203 4.8 35.8 1.0 CE A:LYS27 4.9 17.3 1.0 C A:LYS27 4.9 18.3 1.0 NZ A:LYS27 4.9 19.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the RLIP76 Ral Binding Domain Mutant (E427S/L429M/Q433L/K440R) in Complex with Ralb-Gmppnp


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 RLIP76 Ral Binding Domain Mutant (E427S/L429M/Q433L/K440R) in Complex with Ralb-Gmppnp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:16.2 occ:1.00 O3G B:GNP201 2.0 15.9 1.0 O1B B:GNP201 2.0 12.9 1.0 O B:HOH316 2.1 16.9 1.0 OG1 B:THR46 2.1 15.2 1.0 OG B:SER28 2.1 15.0 1.0 O B:HOH320 2.1 16.5 1.0 CB B:THR46 3.1 14.2 1.0 CB B:SER28 3.2 15.4 1.0 PG B:GNP201 3.2 16.4 1.0 PB B:GNP201 3.2 15.0 1.0 N3B B:GNP201 3.5 16.6 1.0 N B:THR46 3.8 14.1 1.0 N B:SER28 3.9 14.4 1.0 OD2 B:ASP68 3.9 23.9 1.0 O2G B:GNP201 4.0 16.6 1.0 CA B:THR46 4.0 13.2 1.0 O B:HOH302 4.1 25.7 1.0 CA B:SER28 4.1 15.3 1.0 O2A B:GNP201 4.1 15.2 1.0 CG2 B:THR46 4.2 15.0 1.0 OD1 B:ASP68 4.2 24.6 1.0 O3A B:GNP201 4.3 15.3 1.0 O2B B:GNP201 4.3 15.2 1.0 O1G B:GNP201 4.4 16.9 1.0 CG B:ASP68 4.4 22.7 1.0 O B:THR69 4.5 19.9 1.0 PA B:GNP201 4.5 15.9 1.0 O B:GLU44 4.6 17.8 1.0 O1A B:GNP201 4.7 16.8 1.0 C B:PRO45 4.8 18.2 1.0 CB B:LYS27 4.8 18.1 1.0 CE B:LYS27 4.8 18.1 1.0 O B:HOH323 4.9 40.5 1.0 C B:LYS27 4.9 14.2 1.0 NZ B:LYS27 5.0 17.0 1.0

C.A.Hurd, P.Brear, J.Revell, S.Ross, H.R.Mott, D.Owen. Affinity Maturation of the RLIP76 Ral Binding Domain to Inform the Design of Stapled Peptides Targeting the Ral Gtpases. J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X
PubMed: 33214225
DOI: 10.1074/JBC.RA120.015735