Aluminium in PDB 9bho: Crystal Structure of Kras G12S in A Transition State Mimetic Complex with Cypa and Rmc-7977

All present enzymatic activity of Crystal Structure of Kras G12S 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 G12S in A Transition State Mimetic Complex with Cypa and Rmc-7977, PDB code: 9bho 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)	29.79 / 1.89
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.292, 83.048, 127.632, 90, 90, 90
R / Rfree (%)	18.4 / 21.8

The structure of Crystal Structure of Kras G12S in A Transition State Mimetic Complex with Cypa and Rmc-7977 also contains other interesting chemical elements:

Fluorine	(F)	6 atoms
Magnesium	(Mg)	2 atoms

The binding sites of Aluminium atom in the Crystal Structure of Kras G12S in A Transition State Mimetic Complex with Cypa and Rmc-7977 (pdb code 9bho). This binding sites where shown within 5.0 Angstroms radius around Aluminium atom.
In total 2 binding sites of Aluminium where determined in the Crystal Structure of Kras G12S in A Transition State Mimetic Complex with Cypa and Rmc-7977, PDB code: 9bho:
Jump to Aluminium binding site number: 1; 2;

Aluminium binding site 1 out of 2 in the Crystal Structure of Kras G12S in A Transition State Mimetic Complex with Cypa and Rmc-7977


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 1 of Crystal Structure of Kras G12S in A Transition State Mimetic Complex with Cypa and Rmc-7977 within 5.0Å range: probe atom residue distance (Å) B Occ A:Al201 b:22.0 occ:1.00 AL A:AF3201 0.0 22.0 1.0 F1 A:AF3201 1.8 21.6 1.0 F3 A:AF3201 1.8 23.9 1.0 F2 A:AF3201 1.8 20.0 1.0 O A:HOH334 2.2 18.6 1.0 O2B A:GDP203 2.2 21.2 1.0 HZ1 A:LYS16 3.1 23.4 1.0 H A:THR35 3.1 22.8 1.0 HG A:SER12 3.2 36.6 1.0 HA A:SER12 3.3 24.9 1.0 H A:GLY60 3.4 25.3 1.0 H A:GLY13 3.4 26.6 1.0 PB A:GDP203 3.5 18.1 1.0 MG A:MG202 3.5 17.3 1.0 HE22 A:GLN61 3.5 26.8 1.0 HA A:PRO34 3.6 28.9 1.0 O3B A:GDP203 3.7 16.6 1.0 HA A:ALA59 3.8 23.2 1.0 NZ A:LYS16 3.9 19.4 1.0 HB A:THR35 3.9 25.4 1.0 HE1 A:TYR32 3.9 29.4 1.0 N A:THR35 3.9 18.9 1.0 HZ3 A:LYS16 3.9 23.4 1.0 OG A:SER12 4.0 30.4 1.0 O A:HOH321 4.1 18.2 1.0 OH A:TYR32 4.1 33.1 1.0 HE2 A:LYS16 4.1 23.7 1.0 O A:HOH318 4.1 17.8 1.0 CA A:SER12 4.2 20.8 1.0 N A:GLY13 4.2 22.1 1.0 HB3 A:PRO34 4.2 31.7 1.0 OE1 A:GLN61 4.2 25.2 1.0 N A:GLY60 4.3 21.0 1.0 NE2 A:GLN61 4.3 22.3 1.0 O1B A:GDP203 4.3 17.9 1.0 CA A:PRO34 4.4 24.0 1.0 CE A:LYS16 4.5 19.7 1.0 CB A:SER12 4.5 22.5 1.0 HB2 A:SER12 4.5 27.0 1.0 HZ2 A:LYS16 4.5 23.4 1.0 CB A:THR35 4.6 21.1 1.0 HE3 A:LYS16 4.6 23.7 1.0 HB2 A:PRO34 4.6 31.7 1.0 CB A:PRO34 4.6 26.4 1.0 O3A A:GDP203 4.6 18.4 1.0 O A:THR58 4.6 19.8 1.0 CE1 A:TYR32 4.7 24.5 1.0 OG1 A:THR35 4.7 17.8 1.0 CA A:ALA59 4.7 19.3 1.0 HH A:TYR32 4.7 39.7 1.0 C A:PRO34 4.7 19.0 1.0 CD A:GLN61 4.7 26.2 1.0 C A:SER12 4.7 21.8 1.0 O A:THR35 4.8 16.0 1.0 CA A:THR35 4.8 17.2 1.0 HA3 A:GLY60 4.8 27.0 1.0 CZ A:TYR32 4.9 30.1 1.0 HE21 A:GLN61 5.0 26.8 1.0 HB1 A:ALA59 5.0 24.9 1.0 HA2 A:GLY13 5.0 25.8 1.0

Aluminium binding site 2 out of 2 in the Crystal Structure of Kras G12S in A Transition State Mimetic Complex with Cypa and Rmc-7977


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 2 of Crystal Structure of Kras G12S in A Transition State Mimetic Complex with Cypa and Rmc-7977 within 5.0Å range: probe atom residue distance (Å) B Occ C:Al201 b:29.1 occ:1.00 AL C:AF3201 0.0 29.1 1.0 F1 C:AF3201 1.8 29.2 1.0 F2 C:AF3201 1.8 32.0 1.0 F3 C:AF3201 1.8 33.3 1.0 O3B C:GDP203 2.0 33.0 1.0 O C:HOH341 2.2 28.5 1.0 HZ1 C:LYS16 2.9 41.5 1.0 H C:GLY13 3.1 45.1 1.0 HA C:SER12 3.1 40.4 1.0 HG C:SER12 3.2 46.2 1.0 H C:GLY60 3.3 35.4 1.0 PB C:GDP203 3.3 37.0 1.0 H C:THR35 3.3 36.7 1.0 HE22 C:GLN61 3.6 41.5 1.0 MG C:MG202 3.6 31.9 1.0 O1B C:GDP203 3.6 27.6 1.0 HA C:ALA59 3.6 33.7 1.0 NZ C:LYS16 3.7 34.5 1.0 HZ3 C:LYS16 3.7 41.5 1.0 N C:GLY13 3.9 37.6 1.0 HA C:PRO34 4.0 38.0 1.0 CA C:SER12 4.0 33.6 1.0 OG C:SER12 4.0 38.5 1.0 O2B C:GDP203 4.0 29.0 1.0 HE1 C:TYR32 4.0 49.1 1.0 HB2 C:SER12 4.0 42.4 1.0 HB C:THR35 4.0 32.5 1.0 N C:GLY60 4.1 29.5 1.0 O C:HOH322 4.1 28.8 1.0 HE2 C:LYS16 4.2 32.6 1.0 N C:THR35 4.2 30.5 1.0 OE1 C:GLN61 4.2 34.3 1.0 CB C:SER12 4.2 35.3 1.0 HB3 C:PRO34 4.3 43.0 1.0 NE2 C:GLN61 4.3 34.6 1.0 HZ2 C:LYS16 4.3 41.5 1.0 CE C:LYS16 4.4 27.1 1.0 O C:HOH334 4.4 30.3 1.0 OH C:TYR32 4.4 43.5 1.0 C C:SER12 4.5 36.6 1.0 HE3 C:LYS16 4.5 32.6 1.0 CA C:ALA59 4.5 28.1 1.0 O3A C:GDP203 4.6 33.3 1.0 O C:THR58 4.7 27.5 1.0 CA C:PRO34 4.7 31.6 1.0 CD C:GLN61 4.7 37.4 1.0 HA3 C:GLY60 4.7 42.2 1.0 HA2 C:GLY13 4.7 46.4 1.0 HB1 C:ALA59 4.8 34.9 1.0 CB C:THR35 4.8 27.0 1.0 CB C:PRO34 4.8 35.8 1.0 CE1 C:TYR32 4.8 40.9 1.0 C C:ALA59 4.9 28.7 1.0 O C:THR35 4.9 25.4 1.0 HB2 C:PRO34 5.0 43.0 1.0 CA C:GLY13 5.0 38.7 1.0 CA C:GLY60 5.0 35.1 1.0 OG1 C:THR35 5.0 26.1 1.0 HE21 C:GLN61 5.0 41.5 1.0 C C:PRO34 5.0 30.3 1.0

Y.Pourfarjam, Y.Goldgur, A.Cuevas-Navarro, P.Lito. Crystal Structure of Kras G12S in A Transition State Mimetic Complex with Cypa and Rmc-7977 To Be Published.