Magnesium in PDB 7l0g: Monobody 12VC1 Bound to Hras(G12C)

All present enzymatic activity of Monobody 12VC1 Bound to Hras(G12C):
3.6.5.2;

The structure of Monobody 12VC1 Bound to Hras(G12C), PDB code: 7l0g was solved by K.W.Teng, T.Hattori, S.Tsai, S.Koide, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.84 / 2.54
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.834, 62.596, 123.404, 90, 101.22, 90
R / Rfree (%)	19.5 / 22.9

The binding sites of Magnesium atom in the Monobody 12VC1 Bound to Hras(G12C) (pdb code 7l0g). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Monobody 12VC1 Bound to Hras(G12C), PDB code: 7l0g:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Monobody 12VC1 Bound to Hras(G12C)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Monobody 12VC1 Bound to Hras(G12C) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:32.8 occ:1.00 OG1 A:THR35 2.0 35.0 1.0 OG A:SER17 2.0 34.9 1.0 O A:HOH302 2.1 30.7 1.0 O3G A:GSP201 2.1 33.0 1.0 O2B A:GSP201 2.1 32.4 1.0 O A:HOH303 2.2 36.3 1.0 CB A:THR35 3.1 37.4 1.0 CB A:SER17 3.1 39.3 1.0 PB A:GSP201 3.3 39.3 1.0 PG A:GSP201 3.3 36.0 1.0 O3B A:GSP201 3.3 38.8 1.0 N A:THR35 3.8 36.7 1.0 O1A A:GSP201 3.8 30.6 1.0 OD2 A:ASP57 3.8 56.8 1.0 O2G A:GSP201 3.9 35.0 1.0 N A:SER17 4.0 40.9 1.0 O A:HOH306 4.0 40.7 1.0 CA A:THR35 4.0 37.5 1.0 CA A:SER17 4.0 41.8 1.0 OD1 A:ASP57 4.1 74.9 1.0 CG2 A:THR35 4.1 35.9 1.0 O3A A:GSP201 4.3 32.8 1.0 CG A:ASP57 4.4 60.5 1.0 O1B A:GSP201 4.4 35.6 1.0 PA A:GSP201 4.4 33.0 1.0 O A:ASP33 4.4 40.5 1.0 O2A A:GSP201 4.5 35.1 1.0 O A:THR58 4.6 53.5 1.0 C A:PRO34 4.8 37.7 1.0 S1G A:GSP201 4.9 38.5 1.0

Magnesium binding site 2 out of 4 in the Monobody 12VC1 Bound to Hras(G12C)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Monobody 12VC1 Bound to Hras(G12C) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:45.3 occ:1.00 O B:HOH301 1.7 38.8 1.0 OG1 B:THR35 2.0 39.2 1.0 O2B B:GSP201 2.0 34.8 1.0 O3G B:GSP201 2.1 41.9 1.0 OG B:SER17 2.1 37.0 1.0 O B:HOH302 2.2 24.4 1.0 CB B:THR35 3.0 40.5 1.0 PG B:GSP201 3.2 41.3 1.0 CB B:SER17 3.2 37.2 1.0 PB B:GSP201 3.3 40.6 1.0 O3B B:GSP201 3.5 40.9 1.0 O2G B:GSP201 3.5 37.1 1.0 OD2 B:ASP57 3.7 64.2 1.0 OD1 B:ASP57 3.8 68.4 1.0 N B:SER17 3.9 35.6 1.0 N B:THR35 3.9 40.9 1.0 CG2 B:THR35 4.0 43.3 1.0 CA B:THR35 4.1 40.7 1.0 CA B:SER17 4.1 37.3 1.0 CG B:ASP57 4.2 60.2 1.0 O B:THR58 4.2 49.9 1.0 O1B B:GSP201 4.3 37.7 1.0 O3A B:GSP201 4.3 34.8 1.0 O1A B:GSP201 4.4 32.3 1.0 O2A B:GSP201 4.6 37.6 1.0 PA B:GSP201 4.7 35.9 1.0 O B:ASP33 4.7 47.7 1.0 CB B:LYS16 4.8 37.6 1.0 NZ B:LYS16 4.8 40.2 1.0 C B:LYS16 4.9 36.9 1.0 C B:PRO34 5.0 40.4 1.0 S1G B:GSP201 5.0 41.4 1.0

Magnesium binding site 3 out of 4 in the Monobody 12VC1 Bound to Hras(G12C)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Monobody 12VC1 Bound to Hras(G12C) within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg202 b:52.5 occ:1.00 O E:HOH302 1.9 41.1 1.0 O E:HOH303 2.0 39.3 1.0 OG E:SER17 2.0 42.5 1.0 O2B E:GSP201 2.1 37.7 1.0 OG1 E:THR35 2.1 46.2 1.0 O3G E:GSP201 2.3 38.3 1.0 CB E:THR35 3.1 44.6 1.0 CB E:SER17 3.1 42.6 1.0 PB E:GSP201 3.4 39.6 1.0 PG E:GSP201 3.4 42.8 1.0 OD2 E:ASP57 3.5 57.8 1.0 OD1 E:ASP57 3.6 72.4 1.0 O3B E:GSP201 3.6 40.4 1.0 N E:SER17 3.8 41.5 1.0 O2G E:GSP201 3.9 32.9 1.0 CA E:SER17 3.9 42.1 1.0 CG E:ASP57 4.0 62.4 1.0 CG2 E:THR35 4.0 45.0 1.0 N E:THR35 4.1 40.6 1.0 O E:THR58 4.1 50.0 1.0 CA E:THR35 4.2 43.8 1.0 O1A E:GSP201 4.3 40.5 1.0 O1B E:GSP201 4.4 37.0 1.0 O3A E:GSP201 4.4 40.1 1.0 O2A E:GSP201 4.5 47.5 1.0 PA E:GSP201 4.6 40.5 1.0 CB E:LYS16 4.7 38.6 1.0 C E:LYS16 4.7 39.9 1.0 O E:ASP33 4.9 51.3 1.0 NZ E:LYS16 4.9 42.5 1.0

Magnesium binding site 4 out of 4 in the Monobody 12VC1 Bound to Hras(G12C)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Monobody 12VC1 Bound to Hras(G12C) within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg202 b:62.4 occ:1.00 O2B G:GSP201 1.8 34.4 1.0 OG G:SER17 2.1 38.4 1.0 O G:HOH302 2.1 38.1 1.0 O G:HOH306 2.2 28.9 1.0 O3G G:GSP201 2.2 39.6 1.0 OG1 G:THR35 2.3 43.7 1.0 PB G:GSP201 3.0 38.0 1.0 CB G:SER17 3.1 38.1 1.0 O3B G:GSP201 3.3 41.2 1.0 PG G:GSP201 3.3 44.6 1.0 CB G:THR35 3.3 42.2 1.0 O2G G:GSP201 3.6 43.1 1.0 N G:SER17 3.8 39.5 1.0 OD2 G:ASP57 3.8 54.0 1.0 OD1 G:ASP57 3.9 65.2 1.0 CA G:SER17 4.0 38.7 1.0 O1B G:GSP201 4.0 36.2 1.0 N G:THR35 4.1 37.6 1.0 O3A G:GSP201 4.1 38.3 1.0 O G:HOH303 4.2 32.5 1.0 O1A G:GSP201 4.3 34.8 1.0 CG G:ASP57 4.3 57.0 1.0 CG2 G:THR35 4.3 44.2 1.0 CA G:THR35 4.3 40.3 1.0 O G:THR58 4.4 53.6 1.0 O2A G:GSP201 4.4 34.6 1.0 PA G:GSP201 4.5 38.5 1.0 CB G:LYS16 4.7 36.7 1.0 NZ G:LYS16 4.7 39.9 1.0 C G:LYS16 4.8 37.5 1.0 O G:ASP33 4.8 43.6 1.0 CE G:LYS16 5.0 40.1 1.0

K.W.Teng, S.Tsai, T.Hattori, C.Fedele, A.Koide, C.Yang, X.Hou, Y.Zhang, B.N.Neel, J.P.O'bryan, S.Koide. Selective and Noncovalent Targeting of Ras Mutants For Inhibition and Degradation To Be Published.