Magnesium in PDB 3gft: Human K-Ras (Q61H) in Complex with A Gtp Analogue

The structure of Human K-Ras (Q61H) in Complex with A Gtp Analogue, PDB code: 3gft was solved by Y.Tong, W.Tempel, L.Shen, C.H.Arrowsmith, A.M.Edwards, M.Sundstrom, J.Weigelt, A.Bochkarev, H.Park, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.27
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.535, 118.275, 156.836, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 26.7

The binding sites of Magnesium atom in the Human K-Ras (Q61H) in Complex with A Gtp Analogue (pdb code 3gft). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Human K-Ras (Q61H) in Complex with A Gtp Analogue, PDB code: 3gft:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in the Human K-Ras (Q61H) in Complex with A Gtp Analogue


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human K-Ras (Q61H) in Complex with A Gtp Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:17.7 occ:1.00 O1B A:GNP201 2.0 15.6 1.0 OG A:SER17 2.0 13.5 1.0 O2G A:GNP201 2.1 17.2 1.0 O A:HOH401 2.1 18.1 1.0 OG1 A:THR35 2.1 14.8 1.0 O A:HOH402 2.2 5.8 1.0 CB A:SER17 3.1 10.1 1.0 CB A:THR35 3.2 13.6 1.0 PB A:GNP201 3.2 12.4 1.0 PG A:GNP201 3.4 13.7 1.0 N3B A:GNP201 3.5 14.0 1.0 N A:SER17 3.8 10.1 1.0 CA A:SER17 3.9 10.7 1.0 N A:THR35 3.9 16.4 1.0 OD2 A:ASP57 4.0 13.3 1.0 OD1 A:ASP57 4.1 16.9 1.0 CA A:THR35 4.2 16.8 1.0 O3A A:GNP201 4.2 16.7 1.0 CG2 A:THR35 4.2 11.7 1.0 O1G A:GNP201 4.2 12.7 1.0 O2B A:GNP201 4.3 14.5 1.0 O A:THR58 4.3 16.1 1.0 O2A A:GNP201 4.3 15.0 1.0 O A:ASP33 4.3 18.0 1.0 CG A:ASP57 4.4 15.0 1.0 O3G A:GNP201 4.5 13.3 1.0 PA A:GNP201 4.5 14.3 1.0 O1A A:GNP201 4.6 12.3 1.0 CB A:LYS16 4.7 11.9 1.0 C A:LYS16 4.8 8.2 1.0 C A:PRO34 4.8 17.4 1.0 O A:HOH435 4.9 15.8 1.0 CE A:LYS16 5.0 12.3 1.0

Magnesium binding site 2 out of 6 in the Human K-Ras (Q61H) in Complex with A Gtp Analogue


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Human K-Ras (Q61H) in Complex with A Gtp Analogue within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:22.0 occ:1.00 O2G B:GNP201 1.9 28.8 1.0 O1B B:GNP201 2.0 16.6 1.0 O B:HOH404 2.2 17.9 1.0 OG B:SER17 2.2 12.8 1.0 OG1 B:THR35 2.2 36.0 1.0 O B:HOH403 2.4 15.4 1.0 CB B:SER17 3.2 15.5 1.0 CB B:THR35 3.2 38.2 1.0 PB B:GNP201 3.2 15.5 1.0 PG B:GNP201 3.2 30.2 1.0 N3B B:GNP201 3.5 19.8 1.0 N B:THR35 3.9 40.5 1.0 N B:SER17 4.0 14.1 1.0 OD2 B:ASP57 4.0 23.1 1.0 CA B:SER17 4.1 12.3 1.0 O B:ASP33 4.1 38.3 1.0 CA B:THR35 4.1 41.0 1.0 O2A B:GNP201 4.2 14.0 1.0 O1G B:GNP201 4.2 28.1 1.0 O3A B:GNP201 4.2 16.2 1.0 O2B B:GNP201 4.3 9.6 1.0 CG2 B:THR35 4.3 36.1 1.0 O3G B:GNP201 4.3 32.7 1.0 OD1 B:ASP57 4.3 23.1 1.0 O B:THR58 4.5 25.1 1.0 PA B:GNP201 4.5 13.1 1.0 O1A B:GNP201 4.5 11.7 1.0 CG B:ASP57 4.5 23.2 1.0 C B:PRO34 4.7 38.9 1.0 CB B:LYS16 4.8 14.3 1.0 CA B:PRO34 4.9 40.5 1.0

Magnesium binding site 3 out of 6 in the Human K-Ras (Q61H) in Complex with A Gtp Analogue


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Human K-Ras (Q61H) in Complex with A Gtp Analogue within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg202 b:34.3 occ:1.00 O2G C:GNP201 2.0 37.8 1.0 O1B C:GNP201 2.0 27.6 1.0 O C:HOH405 2.1 25.0 1.0 OG1 C:THR35 2.2 60.6 1.0 OG C:SER17 2.3 22.1 1.0 CB C:SER17 3.2 21.0 1.0 PB C:GNP201 3.2 28.0 1.0 PG C:GNP201 3.3 39.8 1.0 CB C:THR35 3.3 61.8 1.0 N3B C:GNP201 3.5 30.9 1.0 N C:THR35 3.8 61.8 1.0 N C:SER17 4.1 19.6 1.0 CA C:SER17 4.2 19.6 1.0 CA C:THR35 4.2 61.7 1.0 O3A C:GNP201 4.2 30.6 1.0 O1G C:GNP201 4.2 34.5 1.0 O2A C:GNP201 4.3 28.7 1.0 O2B C:GNP201 4.3 24.8 1.0 OD2 C:ASP57 4.4 34.9 1.0 O C:ASP33 4.4 63.7 0.5 O3G C:GNP201 4.4 42.3 1.0 O C:ASP33 4.4 63.6 0.5 OD1 C:ASP57 4.4 36.8 1.0 CG2 C:THR35 4.5 61.2 1.0 O C:THR58 4.5 36.6 1.0 PA C:GNP201 4.5 29.4 1.0 O1A C:GNP201 4.6 28.4 1.0 C C:PRO34 4.6 62.6 1.0 CG C:ASP57 4.7 34.7 1.0 CA C:PRO34 4.8 63.4 1.0

Magnesium binding site 4 out of 6 in the Human K-Ras (Q61H) in Complex with A Gtp Analogue


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Human K-Ras (Q61H) in Complex with A Gtp Analogue within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg202 b:48.6 occ:1.00 O2G D:GNP201 2.2 48.1 1.0 O1B D:GNP201 2.2 30.3 1.0 OG D:SER17 2.8 22.6 1.0 OD1 D:ASP57 3.1 41.0 1.0 OD2 D:ASP57 3.1 42.1 1.0 O D:THR58 3.2 44.0 1.0 PG D:GNP201 3.4 48.5 1.0 PB D:GNP201 3.4 31.9 1.0 CG D:ASP57 3.4 39.8 1.0 N D:SER17 3.8 23.9 1.0 N3B D:GNP201 3.9 39.2 1.0 CB D:SER17 3.9 23.1 1.0 O1G D:GNP201 3.9 46.1 1.0 CB D:LYS16 3.9 25.1 1.0 O2B D:GNP201 4.1 29.3 1.0 CE D:LYS16 4.1 25.6 1.0 CA D:SER17 4.3 21.7 1.0 C D:THR58 4.3 42.8 1.0 C D:LYS16 4.5 25.4 1.0 O3A D:GNP201 4.7 31.5 1.0 O3G D:GNP201 4.7 49.9 1.0 CA D:LYS16 4.7 25.1 1.0 NZ D:LYS16 4.7 24.6 1.0 CB D:ASP57 4.8 38.5 1.0 CD D:LYS16 4.9 25.1 1.0 CA D:ALA59 4.9 50.0 1.0 CG D:LYS16 5.0 23.5 1.0

Magnesium binding site 5 out of 6 in the Human K-Ras (Q61H) in Complex with A Gtp Analogue


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Human K-Ras (Q61H) in Complex with A Gtp Analogue within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg202 b:38.4 occ:1.00 O2G E:GNP201 1.8 39.8 1.0 O1B E:GNP201 2.1 23.7 1.0 OG E:SER17 2.2 29.3 1.0 OG1 E:THR35 2.5 57.2 1.0 PG E:GNP201 3.0 42.0 1.0 CB E:SER17 3.2 24.7 1.0 CB E:THR35 3.2 58.1 1.0 PB E:GNP201 3.3 24.6 1.0 N3B E:GNP201 3.5 33.5 1.0 O1G E:GNP201 3.7 39.0 1.0 OD2 E:ASP57 3.8 32.5 1.0 N E:SER17 3.8 20.7 1.0 OD1 E:ASP57 4.0 35.1 1.0 CA E:SER17 4.0 21.1 1.0 O E:THR58 4.1 37.6 1.0 N E:THR35 4.1 60.0 1.0 O2B E:GNP201 4.2 24.1 1.0 CG E:ASP57 4.3 32.2 1.0 CG2 E:THR35 4.3 56.5 1.0 O3G E:GNP201 4.3 41.0 1.0 CA E:THR35 4.3 59.8 1.0 O3A E:GNP201 4.4 24.8 1.0 CB E:LYS16 4.5 21.3 1.0 O E:ASP33 4.6 64.8 1.0 O2A E:GNP201 4.6 25.7 1.0 O1A E:GNP201 4.7 23.4 1.0 PA E:GNP201 4.7 20.8 1.0 CE E:LYS16 4.7 17.7 1.0 C E:LYS16 4.8 20.4 1.0

Magnesium binding site 6 out of 6 in the Human K-Ras (Q61H) in Complex with A Gtp Analogue


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Human K-Ras (Q61H) in Complex with A Gtp Analogue within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg202 b:33.5 occ:1.00 O2G F:GNP201 1.9 42.4 1.0 O F:HOH407 2.0 22.9 1.0 O1B F:GNP201 2.2 19.6 1.0 OG F:SER17 2.3 22.1 1.0 O F:HOH406 2.5 28.7 1.0 PG F:GNP201 3.3 39.6 1.0 CB F:SER17 3.3 23.4 1.0 PB F:GNP201 3.4 18.1 1.0 N3B F:GNP201 3.6 26.7 1.0 O2A F:GNP201 4.0 18.4 1.0 O3G F:GNP201 4.2 40.8 1.0 OD2 F:ASP57 4.2 37.1 1.0 N F:SER17 4.2 21.6 1.0 CA F:SER17 4.3 21.3 1.0 O3A F:GNP201 4.4 20.8 1.0 O1G F:GNP201 4.4 38.8 1.0 OD1 F:ASP57 4.5 37.6 1.0 O2B F:GNP201 4.5 17.0 1.0 O F:THR58 4.6 33.4 1.0 PA F:GNP201 4.6 21.5 1.0 O1A F:GNP201 4.7 23.6 1.0 CG F:ASP57 4.8 35.2 1.0

Y.Tong, W.Tempel, L.Shen, C.H.Arrowsmith, A.M.Edwards, M.Sundstrom, J.Weigelt, A.Bochkarev, H.Park. Human K-Ras in Complex with A Gtp Analogue To Be Published.