Magnesium in PDB 9bi2: Crystal Structure of Gmppnp Bound Kras G12C in Complex with Cypa and Rmc-7977

All present enzymatic activity of Crystal Structure of Gmppnp Bound Kras G12C in Complex with Cypa and Rmc-7977:
3.6.5.2; 5.2.1.8;

The structure of Crystal Structure of Gmppnp Bound Kras G12C in Complex with Cypa and Rmc-7977, PDB code: 9bi2 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)	29.82 / 2.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.128, 81.549, 128.179, 90, 90, 90
R / Rfree (%)	18.5 / 23.6

The binding sites of Magnesium atom in the Crystal Structure of Gmppnp Bound Kras G12C in Complex with Cypa and Rmc-7977 (pdb code 9bi2). 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 G12C in Complex with Cypa and Rmc-7977, PDB code: 9bi2:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Gmppnp Bound Kras G12C 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 G12C in Complex with Cypa and Rmc-7977 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:23.1 occ:1.00 O A:HOH334 2.1 21.6 1.0 OG1 A:THR35 2.1 19.7 1.0 O1B A:GNP201 2.1 25.4 1.0 OG A:SER17 2.2 22.4 1.0 O3G A:GNP201 2.4 32.2 1.0 O A:HOH302 2.4 20.5 1.0 HB A:THR35 3.0 26.1 1.0 HB2 A:SER17 3.0 24.9 1.0 H A:THR35 3.0 34.8 1.0 CB A:THR35 3.1 21.7 1.0 CB A:SER17 3.2 20.8 1.0 PB A:GNP201 3.2 62.4 1.0 N3B A:GNP201 3.4 36.4 1.0 H A:SER17 3.4 19.8 1.0 PG A:GNP201 3.5 114.0 1.0 N A:THR35 3.7 29.0 1.0 HB3 A:SER17 3.8 24.9 1.0 OD2 A:ASP57 3.9 21.5 1.0 HB2 A:LYS16 3.9 20.2 1.0 N A:SER17 4.0 16.5 1.0 CA A:THR35 4.0 24.0 1.0 O A:HOH305 4.0 27.3 1.0 HE2 A:LYS16 4.0 25.9 1.0 HA A:PRO34 4.1 47.4 1.0 O3A A:GNP201 4.1 38.2 1.0 HG21 A:THR35 4.1 24.2 1.0 CA A:SER17 4.1 17.1 1.0 O A:ASP33 4.2 31.5 1.0 HNB3 A:GNP201 4.2 43.7 1.0 CG2 A:THR35 4.2 20.1 1.0 OD1 A:ASP57 4.4 18.4 1.0 O1G A:GNP201 4.4 46.9 1.0 HA A:THR35 4.4 28.8 1.0 HA A:SER17 4.5 20.6 1.0 O A:THR58 4.5 19.8 1.0 CG A:ASP57 4.5 20.2 1.0 O2B A:GNP201 4.5 28.5 1.0 PA A:GNP201 4.5 71.4 1.0 O1A A:GNP201 4.5 32.8 1.0 O2G A:GNP201 4.6 53.0 1.0 HZ2 A:LYS16 4.7 31.4 1.0 C A:PRO34 4.7 29.1 1.0 HZ1 A:LYS16 4.7 31.4 1.0 HG23 A:THR35 4.8 24.2 1.0 CA A:PRO34 4.8 39.4 1.0 O2A A:GNP201 4.9 24.1 1.0 HE2 A:TYR32 4.9 45.8 1.0 CB A:LYS16 4.9 16.8 1.0 CE A:LYS16 4.9 21.6 1.0 HG22 A:THR35 4.9 24.2 1.0 NZ A:LYS16 5.0 26.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Gmppnp Bound Kras G12C 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 G12C in Complex with Cypa and Rmc-7977 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg202 b:29.0 occ:1.00 OG C:SER17 2.0 22.8 1.0 O1B C:GNP201 2.0 31.4 1.0 O C:HOH320 2.0 22.8 1.0 OG1 C:THR35 2.1 24.5 1.0 O1G C:GNP201 2.3 30.9 1.0 O C:HOH315 2.3 24.8 1.0 PB C:GNP201 3.0 33.3 1.0 H C:SER17 3.1 24.4 1.0 CB C:SER17 3.1 18.2 1.0 HB2 C:SER17 3.1 21.9 1.0 N3B C:GNP201 3.1 34.6 1.0 PG C:GNP201 3.2 120.4 1.0 CB C:THR35 3.3 24.8 1.0 HB C:THR35 3.3 29.8 1.0 H C:THR35 3.4 33.4 1.0 N C:SER17 3.7 20.3 1.0 HB2 C:LYS16 3.7 26.9 1.0 HB3 C:SER17 3.8 21.9 1.0 N C:THR35 3.9 27.8 1.0 OD2 C:ASP57 3.9 22.3 1.0 O3A C:GNP201 3.9 24.3 1.0 HE2 C:LYS16 3.9 40.0 1.0 HNB3 C:GNP201 3.9 41.5 1.0 CA C:SER17 4.0 22.3 1.0 O2G C:GNP201 4.1 45.1 1.0 HZ2 C:LYS16 4.1 33.8 1.0 HA C:PRO34 4.1 44.5 1.0 CA C:THR35 4.2 24.9 1.0 HG21 C:THR35 4.2 29.9 1.0 OD1 C:ASP57 4.3 26.1 1.0 CG2 C:THR35 4.4 24.9 1.0 HZ1 C:LYS16 4.4 33.8 1.0 HA C:SER17 4.4 26.8 1.0 O2B C:GNP201 4.4 28.0 1.0 PA C:GNP201 4.4 25.7 1.0 O1A C:GNP201 4.4 26.1 1.0 O C:ASP33 4.4 32.5 1.0 O3G C:GNP201 4.4 78.2 1.0 CG C:ASP57 4.5 23.4 1.0 NZ C:LYS16 4.5 28.1 1.0 HA C:THR35 4.6 29.9 1.0 O C:THR58 4.6 27.9 1.0 CB C:LYS16 4.6 22.4 1.0 O C:HOH355 4.6 32.2 1.0 CE C:LYS16 4.7 33.3 1.0 C C:PRO34 4.8 33.6 1.0 O2A C:GNP201 4.8 27.3 1.0 HE1 C:TYR32 4.8 42.1 1.0 HG23 C:THR35 4.8 29.9 1.0 C C:LYS16 4.8 25.0 1.0 H C:LYS16 4.9 30.4 1.0 HB3 C:LYS16 4.9 26.9 1.0 CA C:PRO34 4.9 37.0 1.0

Y.Pourfarjam, Y.Goldgur, A.Cuevas-Navarro, P.Lito. Crystal Structure of Gmppnp Bound Kras G12C in Complex with Cypa and Rmc-7977 To Be Published.