Magnesium in PDB 3k8y: Allosteric Modulation of H-Ras Gtpase

The structure of Allosteric Modulation of H-Ras Gtpase, PDB code: 3k8y was solved by G.Holzapfel, G.Buhrman, C.Mattos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	9.99 / 1.30
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	88.475, 88.475, 134.906, 90.00, 90.00, 120.00
R / Rfree (%)	20 / 22.7

The structure of Allosteric Modulation of H-Ras Gtpase also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Magnesium atom in the Allosteric Modulation of H-Ras Gtpase (pdb code 3k8y). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Allosteric Modulation of H-Ras Gtpase, PDB code: 3k8y:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Allosteric Modulation of H-Ras Gtpase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Allosteric Modulation of H-Ras Gtpase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg168 b:14.1 occ:1.00 O2G A:GNP528 2.0 15.1 1.0 O2B A:GNP528 2.1 13.9 1.0 OG A:SER17 2.1 14.7 1.0 O A:HOH173 2.1 15.1 1.0 OG1 A:THR35 2.2 15.7 1.0 O A:HOH172 2.2 15.9 1.0 CB A:THR35 3.1 15.6 1.0 PG A:GNP528 3.2 14.4 1.0 CB A:SER17 3.2 14.1 1.0 PB A:GNP528 3.2 13.2 1.0 N3B A:GNP528 3.3 15.6 1.0 N A:THR35 3.8 16.1 1.0 N A:SER17 3.9 12.7 1.0 OD2 A:ASP57 4.0 20.4 1.0 CA A:THR35 4.1 16.3 1.0 O3G A:GNP528 4.1 17.6 1.0 CA A:SER17 4.1 13.3 1.0 O2A A:GNP528 4.1 15.2 1.0 O A:HOH195 4.2 21.3 1.0 OD1 A:ASP57 4.2 18.6 1.0 CG2 A:THR35 4.2 18.4 1.0 O3A A:GNP528 4.2 13.5 1.0 O1B A:GNP528 4.3 14.3 1.0 O1G A:GNP528 4.4 16.3 1.0 O A:ASP33 4.4 15.6 1.0 O A:THR58 4.5 16.7 1.0 PA A:GNP528 4.5 13.8 1.0 CG A:ASP57 4.5 18.3 1.0 O1A A:GNP528 4.6 15.0 1.0 C A:PRO34 4.7 18.0 1.0 CB A:LYS16 4.8 12.8 1.0 C A:LYS16 5.0 13.1 1.0

Magnesium binding site 2 out of 2 in the Allosteric Modulation of H-Ras Gtpase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Allosteric Modulation of H-Ras Gtpase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg170 b:13.1 occ:0.50 O A:HOH182 2.1 15.3 1.0 O A:HOH178 2.2 14.3 1.0 O A:THR124 4.0 15.2 1.0 NE2 A:GLN129 4.1 22.9 1.0 O A:HOH201 4.2 17.8 1.0 OE1 A:GLN129 4.3 16.6 1.0 CD A:GLN129 4.6 19.1 1.0

G.Buhrman, G.Holzapfel, S.Fetics, C.Mattos. Allosteric Modulation of Ras Positions Q61 For A Direct Role in Catalysis. Proc.Natl.Acad.Sci.Usa V. 107 4931 2010.
ISSN: ISSN 0027-8424
PubMed: 20194776
DOI: 10.1073/PNAS.0912226107