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Magnesium in PDB 6zqt: Crystal Structure of the RLIP76 Ral Binding Domain Mutant (E427H/Q433L/K440R) in Complex with Ralb-Gmppnp

Protein crystallography data

The structure of Crystal Structure of the RLIP76 Ral Binding Domain Mutant (E427H/Q433L/K440R) in Complex with Ralb-Gmppnp, PDB code: 6zqt 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) 50.40 / 1.51
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.450, 77.430, 66.400, 90.00, 90.31, 90.00
R / Rfree (%) 18.9 / 22.1

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the RLIP76 Ral Binding Domain Mutant (E427H/Q433L/K440R) in Complex with Ralb-Gmppnp (pdb code 6zqt). 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 (E427H/Q433L/K440R) in Complex with Ralb-Gmppnp, PDB code: 6zqt:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 6zqt

Go back to Magnesium Binding Sites List in 6zqt
Magnesium binding site 1 out of 2 in the Crystal Structure of the RLIP76 Ral Binding Domain Mutant (E427H/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 (E427H/Q433L/K440R) in Complex with Ralb-Gmppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg202

b:21.6
occ:1.00
O1G A:GNP201 2.1 21.6 1.0
O A:HOH316 2.1 21.1 1.0
O1B A:GNP201 2.1 19.8 1.0
OG A:SER28 2.1 22.1 1.0
O A:HOH330 2.2 22.7 1.0
OG1 A:THR46 2.2 21.5 1.0
CB A:THR46 3.1 20.3 1.0
CB A:SER28 3.2 20.4 1.0
PG A:GNP201 3.2 21.9 1.0
PB A:GNP201 3.2 22.1 1.0
N3B A:GNP201 3.4 20.1 1.0
N A:THR46 3.7 19.7 1.0
N A:SER28 3.8 19.3 1.0
OD2 A:ASP68 4.0 23.8 1.0
CA A:THR46 4.0 20.9 1.0
O2G A:GNP201 4.1 21.0 1.0
CA A:SER28 4.1 17.9 1.0
O2A A:GNP201 4.1 22.4 1.0
OD1 A:ASP68 4.2 22.6 1.0
CG2 A:THR46 4.2 21.0 1.0
O A:HOH307 4.2 26.3 1.0
O2B A:GNP201 4.2 22.2 1.0
O3A A:GNP201 4.4 21.8 1.0
O3G A:GNP201 4.4 22.8 1.0
O A:THR69 4.4 24.0 1.0
CG A:ASP68 4.5 19.5 1.0
PA A:GNP201 4.6 22.2 1.0
O A:GLU44 4.6 23.8 1.0
O1A A:GNP201 4.6 23.0 1.0
C A:PRO45 4.8 24.6 1.0
CB A:LYS27 4.8 20.9 1.0
C A:LYS27 4.9 19.3 1.0
CE A:LYS27 4.9 23.2 1.0

Magnesium binding site 2 out of 2 in 6zqt

Go back to Magnesium Binding Sites List in 6zqt
Magnesium binding site 2 out of 2 in the Crystal Structure of the RLIP76 Ral Binding Domain Mutant (E427H/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 (E427H/Q433L/K440R) in Complex with Ralb-Gmppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg202

b:23.7
occ:1.00
O B:HOH329 2.0 23.5 1.0
OG B:SER28 2.0 22.6 1.0
O1G B:GNP201 2.1 23.1 1.0
O2B B:GNP201 2.1 22.0 1.0
OG1 B:THR46 2.1 25.1 1.0
O B:HOH337 2.2 24.5 1.0
CB B:THR46 3.1 28.3 1.0
CB B:SER28 3.2 23.5 1.0
PG B:GNP201 3.2 24.6 1.0
PB B:GNP201 3.3 23.7 1.0
N3B B:GNP201 3.5 22.6 1.0
N B:THR46 3.8 24.3 1.0
N B:SER28 3.8 22.1 1.0
O2G B:GNP201 3.9 23.4 1.0
OD2 B:ASP68 4.0 25.6 1.0
CA B:THR46 4.0 26.6 1.0
CA B:SER28 4.1 19.8 1.0
CG2 B:THR46 4.1 27.9 1.0
OD1 B:ASP68 4.1 25.7 1.0
O2A B:GNP201 4.2 24.1 1.0
O1B B:GNP201 4.3 24.2 1.0
O B:HOH309 4.3 28.4 1.0
O3A B:GNP201 4.4 21.9 1.0
O3G B:GNP201 4.4 25.1 1.0
O B:THR69 4.4 27.7 1.0
CG B:ASP68 4.5 26.1 1.0
O B:GLU44 4.5 27.2 1.0
PA B:GNP201 4.6 23.8 1.0
O1A B:GNP201 4.7 24.3 1.0
CB B:LYS27 4.8 20.7 1.0
C B:PRO45 4.8 28.7 1.0
CE B:LYS27 4.9 22.4 1.0
C B:LYS27 4.9 21.2 1.0

Reference:

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
Page generated: Wed Oct 2 02:35:09 2024

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