Aluminium in PDB 9bhp: Crystal Structure of Kras G12C in A Transition State Mimetic Complex with Cypa and Rmc-7977

All present enzymatic activity of Crystal Structure of Kras G12C 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 G12C in A Transition State Mimetic Complex with Cypa and Rmc-7977, PDB code: 9bhp 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 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.456, 82.648, 127.829, 90, 90, 90
R / Rfree (%)	21 / 25.3

The structure of Crystal Structure of Kras G12C in A Transition State Mimetic Complex with Cypa and Rmc-7977 also contains other interesting chemical elements:

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

The binding sites of Aluminium atom in the Crystal Structure of Kras G12C in A Transition State Mimetic Complex with Cypa and Rmc-7977 (pdb code 9bhp). 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 G12C in A Transition State Mimetic Complex with Cypa and Rmc-7977, PDB code: 9bhp:
Jump to Aluminium binding site number: 1; 2;

Aluminium binding site 1 out of 2 in the Crystal Structure of Kras G12C 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 G12C 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:28.9 occ:1.00 AL A:AF3201 0.0 28.9 1.0 F1 A:AF3201 1.8 28.8 1.0 F2 A:AF3201 1.8 26.3 1.0 F3 A:AF3201 1.8 26.0 1.0 O3B A:GDP202 2.0 25.0 1.0 O A:HOH342 2.4 24.9 1.0 PB A:GDP202 3.3 25.5 1.0 MG A:MG203 3.5 22.8 1.0 O1B A:GDP202 3.6 22.3 1.0 NZ A:LYS16 3.8 24.3 1.0 SG A:CYS12 3.9 46.6 1.0 N A:THR35 4.0 25.4 1.0 N A:GLY13 4.1 27.9 1.0 O2B A:GDP202 4.1 21.8 1.0 O A:HOH307 4.1 25.1 1.0 OH A:TYR32 4.2 33.1 1.0 O A:HOH313 4.2 24.7 1.0 N A:GLY60 4.2 28.0 1.0 CA A:CYS12 4.2 27.8 1.0 CA A:PRO34 4.4 28.2 1.0 OE1 A:GLN61 4.5 29.7 1.0 CE A:LYS16 4.5 26.4 1.0 O3A A:GDP202 4.5 25.7 1.0 CB A:CYS12 4.6 28.5 1.0 CE2 A:TYR32 4.6 28.4 1.0 O A:THR58 4.6 24.3 1.0 CB A:THR35 4.7 25.4 1.0 C A:CYS12 4.7 28.6 1.0 C A:PRO34 4.7 26.2 1.0 NE2 A:GLN61 4.7 32.4 1.0 OG1 A:THR35 4.8 25.9 1.0 CB A:PRO34 4.8 28.3 1.0 O A:THR35 4.8 23.8 1.0 CA A:ALA59 4.8 26.1 1.0 CA A:THR35 4.9 25.3 1.0 CZ A:TYR32 4.9 33.5 1.0

Aluminium binding site 2 out of 2 in the Crystal Structure of Kras G12C 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 G12C 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:56.5 occ:1.00 AL C:AF3201 0.0 56.5 1.0 F1 C:AF3201 1.8 56.9 1.0 F2 C:AF3201 1.8 57.4 1.0 F3 C:AF3201 1.8 49.8 1.0 O C:HOH328 1.9 50.0 1.0 O2B C:GDP202 1.9 56.2 1.0 PB C:GDP202 3.1 55.3 1.0 O3B C:GDP202 3.4 52.0 1.0 MG C:MG203 3.6 47.6 1.0 O1B C:GDP202 3.7 57.4 1.0 NZ C:LYS16 3.9 59.8 1.0 N C:GLY13 4.1 65.5 1.0 N C:THR35 4.1 44.6 1.0 OH C:TYR32 4.1 62.4 1.0 CA C:CYS12 4.1 70.6 1.0 O C:HOH308 4.2 46.1 1.0 O C:HOH311 4.3 47.2 1.0 N C:GLY60 4.4 55.1 1.0 CB C:CYS12 4.4 70.4 1.0 O3A C:GDP202 4.4 56.8 1.0 CA C:PRO34 4.5 50.1 1.0 NE2 C:GLN61 4.5 55.0 1.0 OE1 C:GLN61 4.5 53.1 1.0 CE1 C:TYR32 4.6 57.8 1.0 CE C:LYS16 4.6 55.1 1.0 O2A C:GDP202 4.7 52.9 1.0 C C:CYS12 4.7 72.1 1.0 CA C:ALA59 4.7 49.6 1.0 CB C:PRO34 4.7 48.9 1.0 SG C:CYS12 4.8 71.0 1.0 O C:THR58 4.8 48.3 1.0 CB C:THR35 4.8 42.7 1.0 C C:PRO34 4.8 47.1 1.0 O C:THR35 4.8 44.1 1.0 OG1 C:THR35 4.9 45.0 1.0 CZ C:TYR32 4.9 60.9 1.0 CD C:GLN61 5.0 54.8 1.0 CA C:THR35 5.0 42.6 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.