Magnesium in PDB 6o46: Crystal Structure of Human Kras Mutant in Complex with Gnp and Phosphate

The structure of Crystal Structure of Human Kras Mutant in Complex with Gnp and Phosphate, PDB code: 6o46 was solved by A.K.Bera, K.D.Westover, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.78 / 1.90
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	188.377, 188.377, 34.924, 90.00, 90.00, 120.00
R / Rfree (%)	17.3 / 21

The binding sites of Magnesium atom in the Crystal Structure of Human Kras Mutant in Complex with Gnp and Phosphate (pdb code 6o46). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Human Kras Mutant in Complex with Gnp and Phosphate, PDB code: 6o46:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Human Kras Mutant in Complex with Gnp and Phosphate


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 Kras Mutant in Complex with Gnp and Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:18.3 occ:1.00 O2B A:GNP201 2.0 12.2 1.0 O A:HOH330 2.0 17.2 1.0 O A:HOH360 2.0 16.8 1.0 O A:HOH407 2.1 20.0 1.0 O1G A:GNP201 2.1 16.7 1.0 OG A:SER17 2.3 14.7 1.0 PG A:GNP201 3.2 20.0 1.0 PB A:GNP201 3.2 12.5 1.0 N3B A:GNP201 3.3 12.6 1.0 CB A:SER17 3.3 14.9 1.0 N A:SER17 3.9 12.8 1.0 O2A A:GNP201 4.1 14.5 1.0 OD2 A:ASP57 4.1 19.5 1.0 O3G A:GNP201 4.1 19.9 1.0 CA A:SER17 4.2 14.9 1.0 OD1 A:ASP57 4.2 22.9 1.0 O1B A:GNP201 4.2 15.8 1.0 O A:HOH302 4.3 44.4 1.0 O3A A:GNP201 4.3 12.7 1.0 O2G A:GNP201 4.3 18.6 1.0 O4 A:PO4203 4.4 69.9 1.0 O A:HOH402 4.4 42.4 1.0 O A:THR58 4.5 19.4 1.0 CG A:ASP57 4.6 25.1 1.0 PA A:GNP201 4.6 13.7 1.0 O1A A:GNP201 4.6 13.7 1.0 NH2 A:ARG34 4.8 55.0 1.0 NH1 A:ARG34 4.8 60.8 1.0 O1 A:PO4203 4.8 61.9 1.0 CB A:LYS16 4.9 10.2 1.0 CE A:LYS16 5.0 12.9 1.0 C A:LYS16 5.0 14.9 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Human Kras Mutant in Complex with Gnp and Phosphate


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 Kras Mutant in Complex with Gnp and Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:27.6 occ:1.00 O2B B:GNP201 2.0 23.7 1.0 O B:HOH309 2.0 25.6 1.0 O1G B:GNP201 2.1 29.3 1.0 O B:HOH318 2.1 26.6 1.0 OG B:SER17 2.2 24.0 1.0 O B:HOH331 2.2 25.0 1.0 PG B:GNP201 3.1 32.1 1.0 PB B:GNP201 3.2 23.6 1.0 N3B B:GNP201 3.2 26.2 1.0 CB B:SER17 3.4 25.7 1.0 O B:THR35 3.8 46.1 1.0 N B:SER17 4.0 25.1 1.0 O2A B:GNP201 4.0 31.8 1.0 NH2 B:ARG34 4.1 42.4 1.0 O1B B:GNP201 4.1 24.9 1.0 O3A B:GNP201 4.2 23.3 1.0 O3G B:GNP201 4.2 30.2 1.0 OD2 B:ASP57 4.2 32.0 1.0 OD1 B:ASP57 4.2 33.4 1.0 CA B:SER17 4.2 27.5 1.0 O2G B:GNP201 4.3 39.8 1.0 O B:THR58 4.3 30.8 1.0 PA B:GNP201 4.5 28.1 1.0 OE2 B:GLU37 4.5 58.4 1.0 CZ B:ARG34 4.6 49.7 1.0 CG B:ASP57 4.7 35.6 1.0 NE B:ARG34 4.8 44.3 1.0 C B:THR35 4.8 55.6 1.0 CE B:LYS16 4.8 19.6 1.0 CB B:LYS16 4.9 20.2 1.0 O1A B:GNP201 4.9 24.7 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Human Kras Mutant in Complex with Gnp and Phosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Human Kras Mutant in Complex with Gnp and Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg202 b:25.7 occ:1.00 O C:HOH305 1.9 21.5 1.0 O1G C:GNP201 1.9 23.1 1.0 O2B C:GNP201 2.1 25.8 1.0 O C:HOH325 2.1 25.6 1.0 OG C:SER17 2.1 22.7 1.0 O C:HOH356 2.2 28.8 1.0 PG C:GNP201 3.1 28.7 1.0 PB C:GNP201 3.2 21.0 1.0 CB C:SER17 3.3 19.8 1.0 N3B C:GNP201 3.3 27.9 1.0 NH1 C:ARG34 3.8 42.4 1.0 N C:SER17 4.0 23.7 1.0 O3G C:GNP201 4.0 23.4 1.0 O2A C:GNP201 4.1 26.4 1.0 O C:THR35 4.1 57.4 1.0 OD2 C:ASP57 4.1 35.8 1.0 OD1 C:ASP57 4.1 38.7 1.0 CA C:SER17 4.2 22.8 1.0 O2G C:GNP201 4.2 27.7 1.0 O1B C:GNP201 4.2 20.2 1.0 O3A C:GNP201 4.3 18.1 1.0 O C:THR58 4.3 32.2 1.0 CZ C:ARG34 4.5 54.3 1.0 CG C:ASP57 4.5 31.7 1.0 PA C:GNP201 4.5 24.6 1.0 NE C:ARG34 4.6 48.2 1.0 CE C:LYS16 4.8 23.6 1.0 NZ C:LYS16 4.9 22.3 1.0 O1A C:GNP201 4.9 24.2 1.0 CB C:LYS16 4.9 27.8 1.0

A.K.Bera, K.D.Westover. Crystal Structure of Human Kras Mutant in Complex with Gnp and Phosphate To Be Published.