Magnesium in PDB 7lc2: Crystal Structure of KRAS4B-Q61R (Gmppnp-Bound) in Complex with the Ras-Binding Domain (Rbd) of SIN1

All present enzymatic activity of Crystal Structure of KRAS4B-Q61R (Gmppnp-Bound) in Complex with the Ras-Binding Domain (Rbd) of SIN1:
3.6.5.2;

The structure of Crystal Structure of KRAS4B-Q61R (Gmppnp-Bound) in Complex with the Ras-Binding Domain (Rbd) of SIN1, PDB code: 7lc2 was solved by S.Dharmaiah, D.K.Simanshu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.47 / 2.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	150, 45.64, 91.78, 90, 119.52, 90
R / Rfree (%)	23.9 / 28.7

The binding sites of Magnesium atom in the Crystal Structure of KRAS4B-Q61R (Gmppnp-Bound) in Complex with the Ras-Binding Domain (Rbd) of SIN1 (pdb code 7lc2). 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 KRAS4B-Q61R (Gmppnp-Bound) in Complex with the Ras-Binding Domain (Rbd) of SIN1, PDB code: 7lc2:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of KRAS4B-Q61R (Gmppnp-Bound) in Complex with the Ras-Binding Domain (Rbd) of SIN1


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 KRAS4B-Q61R (Gmppnp-Bound) in Complex with the Ras-Binding Domain (Rbd) of SIN1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:58.0 occ:1.00 O2B A:GNP201 1.9 56.6 1.0 OG1 A:THR35 2.0 63.1 1.0 O A:HOH303 2.0 58.5 1.0 OG A:SER17 2.0 60.5 1.0 O2G A:GNP201 2.1 60.8 1.0 O A:HOH301 2.1 63.8 1.0 CB A:THR35 3.0 58.8 1.0 PG A:GNP201 3.0 60.4 1.0 PB A:GNP201 3.0 65.4 1.0 N3B A:GNP201 3.2 59.4 1.0 CB A:SER17 3.3 55.0 1.0 O1G A:GNP201 3.5 54.7 1.0 N A:THR35 3.7 61.0 1.0 CA A:THR35 4.0 58.2 1.0 N A:SER17 4.0 55.8 1.0 O3A A:GNP201 4.0 60.0 1.0 CG2 A:THR35 4.1 60.7 1.0 O2A A:GNP201 4.1 70.5 1.0 OD2 A:ASP57 4.2 68.2 1.0 O1B A:GNP201 4.2 53.5 1.0 CA A:SER17 4.2 57.7 1.0 O3G A:GNP201 4.3 70.4 1.0 PA A:GNP201 4.4 69.6 1.0 O A:THR58 4.5 60.2 1.0 O1A A:GNP201 4.6 62.0 1.0 O A:ASP33 4.6 77.6 1.0 C A:PRO34 4.7 67.7 1.0 CG A:ASP57 4.8 63.0 1.0 OD1 A:ASP57 4.9 64.5 1.0 O A:HOH305 4.9 63.6 1.0 CA A:PRO34 4.9 74.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of KRAS4B-Q61R (Gmppnp-Bound) in Complex with the Ras-Binding Domain (Rbd) of SIN1


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 KRAS4B-Q61R (Gmppnp-Bound) in Complex with the Ras-Binding Domain (Rbd) of SIN1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:66.5 occ:1.00 OG1 B:THR35 1.9 74.0 1.0 O2B B:GNP201 1.9 65.8 1.0 OG B:SER17 2.0 63.0 1.0 O B:HOH304 2.0 66.0 1.0 O B:HOH301 2.0 56.8 1.0 O2G B:GNP201 2.0 68.9 1.0 PB B:GNP201 3.0 63.3 1.0 CB B:SER17 3.1 64.8 1.0 PG B:GNP201 3.1 62.0 1.0 CB B:THR35 3.1 65.7 1.0 N3B B:GNP201 3.2 64.3 1.0 N B:THR35 3.6 67.1 1.0 O3G B:GNP201 3.8 62.1 1.0 N B:SER17 3.8 67.8 1.0 O3A B:GNP201 3.9 67.9 1.0 CA B:THR35 4.0 61.6 1.0 O B:ASP33 4.0 83.0 1.0 O2A B:GNP201 4.0 72.3 1.0 CA B:SER17 4.0 63.2 1.0 CG2 B:THR35 4.2 59.1 1.0 O1B B:GNP201 4.2 63.2 1.0 PA B:GNP201 4.3 67.0 1.0 O1G B:GNP201 4.3 76.0 1.0 O1A B:GNP201 4.4 63.2 1.0 OD2 B:ASP57 4.4 71.6 1.0 OD1 B:ASP57 4.5 72.7 1.0 O B:HOH312 4.6 65.4 1.0 C B:PRO34 4.6 75.0 1.0 O B:THR58 4.6 64.5 1.0 CG B:ASP57 4.8 71.6 1.0 CA B:PRO34 4.8 78.4 1.0 C B:LYS16 4.9 68.3 1.0 CB B:LYS16 5.0 59.1 1.0

P.Castel, S.Dharmaiah, M.J.Sale, S.Messing, G.Rizzuto, A.Cuevas-Navarro, A.Cheng, M.J.Trnka, A.Urisman, D.Esposito, D.K.Simanshu, F.Mccormick. Ras Interaction to SIN1 Is Dispensable For MTORC2 Assembly and Activity Proc.Natl.Acad.Sci.Usa 2021.
ISSN: ESSN 1091-6490