Magnesium in PDB 9bhq: Crystal Structure of Kras G12A in A Transition State Mimetic Complex with Cypa and Rmc-7977

All present enzymatic activity of Crystal Structure of Kras G12A in A Transition State Mimetic Complex with Cypa and Rmc-7977:
3.6.5.2; 5.2.1.8;

The structure of Crystal Structure of Kras G12A in A Transition State Mimetic Complex with Cypa and Rmc-7977, PDB code: 9bhq 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)	29.81 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.606, 83.312, 127.691, 90, 90, 90
R / Rfree (%)	19.2 / 23.2

The structure of Crystal Structure of Kras G12A in A Transition State Mimetic Complex with Cypa and Rmc-7977 also contains other interesting chemical elements:

Aluminium	(Al)	2 atoms
Fluorine	(F)	6 atoms

The binding sites of Magnesium atom in the Crystal Structure of Kras G12A in A Transition State Mimetic Complex with Cypa and Rmc-7977 (pdb code 9bhq). 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 Kras G12A in A Transition State Mimetic Complex with Cypa and Rmc-7977, PDB code: 9bhq:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Kras G12A in A Transition State Mimetic 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 Kras G12A in A Transition State Mimetic Complex with Cypa and Rmc-7977 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg203 b:17.9 occ:1.00 O2B A:GDP201 2.0 17.7 1.0 F3 A:AF3202 2.0 18.0 1.0 OG A:SER17 2.1 14.7 1.0 O A:HOH330 2.1 16.1 1.0 O A:HOH319 2.1 19.1 1.0 OG1 A:THR35 2.1 15.7 1.0 HB A:THR35 3.0 23.8 1.0 HB2 A:SER17 3.1 18.7 1.0 H A:THR35 3.1 22.9 1.0 CB A:THR35 3.1 19.8 1.0 CB A:SER17 3.1 15.5 1.0 H A:SER17 3.2 19.6 1.0 PB A:GDP201 3.3 15.2 1.0 O1B A:GDP201 3.4 17.1 1.0 AL A:AF3202 3.6 19.4 1.0 N A:THR35 3.7 19.1 1.0 HB3 A:SER17 3.8 18.7 1.0 N A:SER17 3.8 16.3 1.0 HB2 A:LYS16 3.9 19.9 1.0 OD2 A:ASP57 4.0 19.8 1.0 CA A:THR35 4.0 18.6 1.0 HE2 A:LYS16 4.0 21.0 1.0 CA A:SER17 4.1 15.6 1.0 HA A:PRO34 4.1 26.1 1.0 O2A A:GDP201 4.1 16.7 1.0 HG21 A:THR35 4.1 23.9 1.0 OD1 A:ASP57 4.2 18.4 1.0 CG2 A:THR35 4.3 19.9 1.0 O3A A:GDP201 4.3 16.8 1.0 O3B A:GDP201 4.3 16.9 1.0 O A:HOH338 4.4 33.3 1.0 HA A:SER17 4.4 18.7 1.0 O A:THR58 4.4 18.0 1.0 O1A A:GDP201 4.5 16.2 1.0 O A:ASP33 4.5 19.5 1.0 O A:HOH321 4.5 16.5 1.0 CG A:ASP57 4.5 18.6 1.0 PA A:GDP201 4.5 17.1 1.0 HA A:THR35 4.5 22.3 1.0 F2 A:AF3202 4.6 17.7 1.0 C A:PRO34 4.6 17.6 1.0 HG23 A:THR35 4.8 23.9 1.0 CA A:PRO34 4.8 21.7 1.0 CB A:LYS16 4.8 16.6 1.0 HZ1 A:LYS16 4.8 21.2 1.0 C A:LYS16 4.9 15.8 1.0 CE A:LYS16 4.9 17.5 1.0 HG22 A:THR35 4.9 23.9 1.0 F1 A:AF3202 4.9 18.1 1.0 HZ3 A:LYS16 5.0 21.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Kras G12A in A Transition State Mimetic 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 Kras G12A in A Transition State Mimetic Complex with Cypa and Rmc-7977 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg203 b:30.2 occ:1.00 O1B C:GDP201 2.0 25.6 1.0 F1 C:AF3202 2.1 26.8 1.0 O C:HOH323 2.1 26.4 1.0 OG1 C:THR35 2.1 26.0 1.0 OG C:SER17 2.2 26.2 1.0 O C:HOH327 2.2 26.6 1.0 HB C:THR35 3.0 31.4 1.0 CB C:THR35 3.1 26.1 1.0 HB2 C:SER17 3.1 35.8 1.0 H C:THR35 3.2 35.3 1.0 CB C:SER17 3.2 29.8 1.0 PB C:GDP201 3.3 31.9 1.0 H C:SER17 3.3 34.1 1.0 O2B C:GDP201 3.4 31.6 1.0 AL C:AF3202 3.7 27.8 1.0 N C:THR35 3.7 29.4 1.0 HB3 C:SER17 3.9 35.8 1.0 N C:SER17 3.9 28.4 1.0 HB2 C:LYS16 3.9 32.7 1.0 CA C:THR35 4.0 28.0 1.0 OD2 C:ASP57 4.0 27.1 1.0 HA C:PRO34 4.0 39.3 1.0 HG21 C:THR35 4.1 30.9 1.0 CA C:SER17 4.1 28.6 1.0 O2A C:GDP201 4.1 27.4 1.0 OD1 C:ASP57 4.2 23.8 1.0 CG2 C:THR35 4.2 25.7 1.0 HE2 C:LYS16 4.2 32.1 1.0 O C:HOH318 4.3 31.9 1.0 O3A C:GDP201 4.3 32.6 1.0 O3B C:GDP201 4.3 29.3 1.0 O C:THR58 4.4 24.2 1.0 O C:HOH340 4.4 27.2 1.0 CG C:ASP57 4.4 25.4 1.0 O C:ASP33 4.4 31.3 1.0 HA C:THR35 4.5 33.6 1.0 O1A C:GDP201 4.5 35.4 1.0 HA C:SER17 4.5 34.4 1.0 PA C:GDP201 4.5 29.1 1.0 C C:PRO34 4.6 27.5 1.0 F2 C:AF3202 4.6 28.9 1.0 HG23 C:THR35 4.7 30.9 1.0 CA C:PRO34 4.8 32.7 1.0 HZ3 C:LYS16 4.8 34.8 1.0 CB C:LYS16 4.8 27.2 1.0 HG22 C:THR35 4.9 30.9 1.0 HZ1 C:LYS16 4.9 34.8 1.0 C C:LYS16 4.9 30.4 1.0

Y.Pourfarjam, Y.Goldgur, A.Cuevas-Navarro, P.Lito. Crystal Structure of Kras G12A in A Transition State Mimetic Complex with Cypa and Rmc-7977 To Be Published.