Magnesium in PDB 9bi1: Crystal Structure of Gmppnp Bound Kras G12D in Complex with Cypa and Rmc-7977

All present enzymatic activity of Crystal Structure of Gmppnp Bound Kras G12D in Complex with Cypa and Rmc-7977:
3.6.5.2; 5.2.1.8;

The structure of Crystal Structure of Gmppnp Bound Kras G12D in Complex with Cypa and Rmc-7977, PDB code: 9bi1 was solved by Y.Pourfarjam, Y.Goldgur, A.Cuevas-Navarro, P.Lito, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.53 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.519, 82.052, 127.902, 90, 90, 90
R / Rfree (%)	21.8 / 26

The binding sites of Magnesium atom in the Crystal Structure of Gmppnp Bound Kras G12D in Complex with Cypa and Rmc-7977 (pdb code 9bi1). 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 Gmppnp Bound Kras G12D in Complex with Cypa and Rmc-7977, PDB code: 9bi1:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Gmppnp Bound Kras G12D in Complex with Cypa and Rmc-7977


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 Gmppnp Bound Kras G12D in Complex with Cypa and Rmc-7977 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:18.1 occ:1.00 O1B A:GNP201 2.0 17.4 1.0 O1G A:GNP201 2.0 20.0 1.0 OG A:SER17 2.1 18.3 1.0 O A:HOH346 2.1 20.2 1.0 OG1 A:THR35 2.1 18.7 1.0 O A:HOH318 2.1 20.4 1.0 HB A:THR35 3.0 20.8 1.0 PB A:GNP201 3.1 18.9 1.0 CB A:THR35 3.1 17.3 1.0 HB2 A:SER17 3.1 19.5 1.0 CB A:SER17 3.2 16.2 1.0 PG A:GNP201 3.2 34.8 1.0 H A:SER17 3.2 19.3 1.0 H A:THR35 3.3 28.5 1.0 N3B A:GNP201 3.3 20.2 1.0 HB2 A:LYS16 3.7 21.4 1.0 HE2 A:LYS16 3.8 25.6 1.0 N A:SER17 3.8 16.0 1.0 N A:THR35 3.8 23.7 1.0 HB3 A:SER17 3.8 19.5 1.0 HG21 A:THR35 4.0 26.2 1.0 HNB3 A:GNP201 4.0 24.3 1.0 CA A:SER17 4.1 17.0 1.0 OD2 A:ASP57 4.1 18.6 1.0 CA A:THR35 4.1 19.2 1.0 O1A A:GNP201 4.1 17.6 1.0 O2B A:GNP201 4.2 18.1 1.0 OD1 A:ASP57 4.2 19.3 1.0 CG2 A:THR35 4.2 21.8 1.0 O2G A:GNP201 4.2 30.7 1.0 HA A:PRO34 4.2 29.6 1.0 O A:HOH357 4.3 30.5 1.0 O3A A:GNP201 4.3 19.2 1.0 O3G A:GNP201 4.3 31.1 1.0 HA A:SER17 4.4 20.4 1.0 O A:ASP33 4.4 22.6 1.0 O A:THR58 4.4 19.9 1.0 CG A:ASP57 4.5 18.4 1.0 PA A:GNP201 4.5 20.1 1.0 HA A:THR35 4.6 23.1 1.0 HZ3 A:LYS16 4.6 28.9 1.0 CB A:LYS16 4.6 17.9 1.0 CE A:LYS16 4.7 21.3 1.0 O2A A:GNP201 4.7 18.3 1.0 HG23 A:THR35 4.7 26.2 1.0 HZ2 A:LYS16 4.8 28.9 1.0 C A:PRO34 4.8 23.5 1.0 C A:LYS16 4.9 17.3 1.0 HG22 A:THR35 4.9 26.2 1.0 HB3 A:LYS16 4.9 21.4 1.0 NZ A:LYS16 4.9 24.1 1.0 CA A:PRO34 4.9 24.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Gmppnp Bound Kras G12D in Complex with Cypa and Rmc-7977


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 Gmppnp Bound Kras G12D in Complex with Cypa and Rmc-7977 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg202 b:35.1 occ:1.00 O1G C:GNP201 1.9 33.3 1.0 O1B C:GNP201 2.0 34.5 1.0 OG C:SER17 2.0 36.1 1.0 O C:HOH320 2.2 38.9 1.0 OG1 C:THR35 2.2 29.5 1.0 O C:HOH326 2.3 29.7 1.0 PG C:GNP201 3.0 50.8 1.0 HB2 C:SER17 3.0 39.6 1.0 CB C:SER17 3.1 33.0 1.0 H C:SER17 3.1 40.6 1.0 PB C:GNP201 3.2 31.8 1.0 N3B C:GNP201 3.3 41.6 1.0 CB C:THR35 3.4 33.5 1.0 HB C:THR35 3.4 40.2 1.0 H C:THR35 3.4 42.9 1.0 HB3 C:SER17 3.8 39.6 1.0 N C:THR35 3.8 35.7 1.0 HA C:PRO34 3.8 45.7 1.0 N C:SER17 3.8 33.8 1.0 HE2 C:LYS16 3.8 49.4 1.0 O C:HOH347 3.9 39.0 1.0 HNB3 C:GNP201 4.0 49.9 1.0 O2A C:GNP201 4.0 36.4 1.0 HB2 C:LYS16 4.0 48.1 1.0 O2G C:GNP201 4.0 43.8 1.0 CA C:SER17 4.1 34.4 1.0 O3G C:GNP201 4.1 49.5 1.0 CA C:THR35 4.1 36.7 1.0 O C:ASP33 4.2 40.5 1.0 OD2 C:ASP57 4.3 31.5 1.0 O2B C:GNP201 4.3 28.7 1.0 O3A C:GNP201 4.3 34.3 1.0 HZ1 C:LYS16 4.4 43.8 1.0 HA C:THR35 4.4 44.0 1.0 HG21 C:THR35 4.4 38.5 1.0 HZ3 C:LYS16 4.5 43.8 1.0 HA C:SER17 4.5 41.4 1.0 PA C:GNP201 4.5 34.0 1.0 C C:PRO34 4.5 39.9 1.0 CG2 C:THR35 4.5 32.1 1.0 CA C:PRO34 4.6 38.0 1.0 O1A C:GNP201 4.6 36.4 1.0 OD1 C:ASP57 4.6 31.5 1.0 CE C:LYS16 4.7 41.2 1.0 NZ C:LYS16 4.7 36.5 1.0 O C:THR58 4.8 35.9 1.0 HE1 C:TYR32 4.8 55.2 1.0 CG C:ASP57 4.8 33.6 1.0 CB C:LYS16 4.9 40.1 1.0 HG23 C:THR35 5.0 38.5 1.0 C C:LYS16 5.0 37.6 1.0

Y.Pourfarjam, Y.Goldgur, A.Cuevas-Navarro, P.Lito. Crystal Structure of Gmppnp Bound Kras G12D in Complex with Cypa and Rmc-7977 To Be Published.