Magnesium in PDB 5vq6: Crystal Structure of Human Wt-Kras in Complex with Gtp-Gamma-S

The structure of Crystal Structure of Human Wt-Kras in Complex with Gtp-Gamma-S, PDB code: 5vq6 was solved by S.Xu, B.Long, G.Boris, S.Ni, M.A.Kennedy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	68.17 / 1.99
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	95.117, 95.117, 121.417, 90.00, 90.00, 120.00
R / Rfree (%)	19 / 22.1

The binding sites of Magnesium atom in the Crystal Structure of Human Wt-Kras in Complex with Gtp-Gamma-S (pdb code 5vq6). 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 Human Wt-Kras in Complex with Gtp-Gamma-S, PDB code: 5vq6:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Human Wt-Kras in Complex with Gtp-Gamma-S


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 Human Wt-Kras in Complex with Gtp-Gamma-S within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:50.1 occ:1.00 O A:HOH328 2.0 33.6 1.0 O3G A:GSP201 2.1 53.0 1.0 O A:HOH305 2.1 40.4 1.0 OG A:SER17 2.3 27.5 1.0 O1B A:GSP201 2.5 24.5 1.0 CB A:SER17 3.3 22.1 1.0 PG A:GSP201 3.4 66.3 1.0 PB A:GSP201 3.6 21.2 1.0 O3B A:GSP201 3.7 32.0 1.0 OD2 A:ASP57 3.9 44.5 1.0 N A:SER17 4.2 21.0 1.0 OD1 A:ASP57 4.2 49.6 1.0 CA A:SER17 4.3 20.4 1.0 O1A A:GSP201 4.4 29.5 1.0 O2G A:GSP201 4.4 62.6 1.0 CG A:ASP57 4.4 41.4 1.0 O3A A:GSP201 4.5 22.2 1.0 O A:THR58 4.6 39.9 1.0 C A:ALA59 4.7 66.8 1.0 S1G A:GSP201 4.7 78.0 1.0 CD2 A:TYR32 4.7 84.0 1.0 PA A:GSP201 4.8 25.2 1.0 O2A A:GSP201 4.8 25.2 1.0 O2B A:GSP201 4.9 23.4 1.0 O A:ALA59 5.0 65.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Human Wt-Kras in Complex with Gtp-Gamma-S


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 Human Wt-Kras in Complex with Gtp-Gamma-S within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:51.8 occ:1.00 O B:HOH326 2.0 32.1 1.0 O3G B:GSP201 2.0 60.7 1.0 O B:HOH302 2.2 34.1 1.0 OG B:SER17 2.3 27.3 1.0 O2B B:GSP201 2.5 26.2 1.0 CB B:SER17 3.4 21.8 1.0 PG B:GSP201 3.4 72.2 1.0 PB B:GSP201 3.7 22.6 1.0 O3B B:GSP201 3.7 36.3 1.0 OD2 B:ASP57 3.9 43.4 1.0 OD1 B:ASP57 4.3 53.4 1.0 N B:SER17 4.3 21.5 1.0 O2A B:GSP201 4.3 28.5 1.0 CA B:SER17 4.3 21.4 1.0 O2G B:GSP201 4.4 68.1 1.0 CG B:ASP57 4.4 45.4 1.0 O3A B:GSP201 4.6 24.3 1.0 O B:THR58 4.6 44.4 1.0 CD2 B:TYR32 4.7 83.1 1.0 S1G B:GSP201 4.7 85.5 1.0 C B:ALA59 4.7 75.5 1.0 O1A B:GSP201 4.8 24.8 1.0 PA B:GSP201 4.8 25.4 1.0 O1B B:GSP201 4.8 24.0 1.0

S.Xu, B.N.Long, G.H.Boris, A.Chen, S.Ni, M.A.Kennedy. Structural Insight Into the Rearrangement of the Switch I Region in Gtp-Bound G12A K-Ras. Acta Crystallogr D Struct V. 73 970 2017BIOL.
ISSN: ISSN 2059-7983
PubMed: 29199977
DOI: 10.1107/S2059798317015418