Magnesium in PDB 7l0f: Monobody 12VC3 Bound to Hras(Wt)

All present enzymatic activity of Monobody 12VC3 Bound to Hras(Wt):
3.6.5.2;

The structure of Monobody 12VC3 Bound to Hras(Wt), PDB code: 7l0f 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)	44.88 / 1.98
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.012, 64.816, 127.124, 90, 102.37, 90
R / Rfree (%)	15.9 / 19.1

The binding sites of Magnesium atom in the Monobody 12VC3 Bound to Hras(Wt) (pdb code 7l0f). 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 12VC3 Bound to Hras(Wt), PDB code: 7l0f:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Monobody 12VC3 Bound to Hras(Wt)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Monobody 12VC3 Bound to Hras(Wt) within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg201 b:16.4 occ:1.00 O2B E:GSP202 2.0 13.0 1.0 O3G E:GSP202 2.0 17.7 1.0 O E:HOH358 2.0 16.7 1.0 O E:HOH350 2.0 13.8 1.0 OG1 E:THR35 2.0 17.0 1.0 OG E:SER17 2.1 19.0 1.0 CB E:THR35 3.1 17.2 1.0 CB E:SER17 3.2 20.3 1.0 PB E:GSP202 3.2 15.3 1.0 PG E:GSP202 3.2 19.0 1.0 O3B E:GSP202 3.5 17.4 1.0 N E:THR35 3.8 17.3 1.0 O2G E:GSP202 3.9 17.9 1.0 N E:SER17 3.9 17.8 1.0 OD2 E:ASP57 4.0 28.7 1.0 O E:HOH306 4.1 40.1 1.0 CA E:THR35 4.1 17.7 1.0 CA E:SER17 4.1 19.7 1.0 OD1 E:ASP57 4.1 34.1 1.0 O1A E:GSP202 4.1 17.9 1.0 CG2 E:THR35 4.2 15.9 1.0 O3A E:GSP202 4.3 17.7 1.0 O1B E:GSP202 4.3 16.4 1.0 O E:ASP33 4.4 20.4 1.0 CG E:ASP57 4.4 32.2 1.0 PA E:GSP202 4.5 17.1 1.0 O E:HOH343 4.5 35.1 1.0 O2A E:GSP202 4.6 18.9 1.0 O E:THR58 4.6 19.0 1.0 C E:PRO34 4.8 16.6 1.0 S1G E:GSP202 4.9 19.9 1.0 CB E:LYS16 4.9 20.8 1.0 O E:HOH303 5.0 36.7 1.0

Magnesium binding site 2 out of 4 in the Monobody 12VC3 Bound to Hras(Wt)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Monobody 12VC3 Bound to Hras(Wt) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:20.4 occ:1.00 O2B A:GSP202 2.0 18.5 1.0 OG1 A:THR35 2.0 22.3 1.0 O A:HOH344 2.0 17.8 1.0 O3G A:GSP202 2.1 23.4 1.0 O A:HOH350 2.1 17.7 1.0 OG A:SER17 2.1 22.8 1.0 CB A:THR35 3.1 21.7 1.0 CB A:SER17 3.1 23.6 1.0 PG A:GSP202 3.3 21.1 1.0 PB A:GSP202 3.3 19.4 1.0 O3B A:GSP202 3.5 21.9 1.0 N A:THR35 3.8 21.5 1.0 O A:HOH302 3.9 43.1 1.0 O2G A:GSP202 3.9 20.3 1.0 OD2 A:ASP57 4.0 33.6 1.0 N A:SER17 4.0 23.3 1.0 CA A:THR35 4.0 20.8 1.0 CG2 A:THR35 4.1 24.9 1.0 CA A:SER17 4.1 26.0 1.0 OD1 A:ASP57 4.1 36.7 1.0 O1A A:GSP202 4.2 21.4 1.0 O3A A:GSP202 4.3 20.7 1.0 O1B A:GSP202 4.3 17.1 1.0 O A:ASP33 4.4 22.7 1.0 CG A:ASP57 4.4 42.5 1.0 PA A:GSP202 4.5 20.6 1.0 O2A A:GSP202 4.6 19.5 1.0 O A:THR58 4.6 21.8 1.0 C A:PRO34 4.8 23.1 1.0 S1G A:GSP202 4.9 21.6 1.0 CB A:LYS16 5.0 21.9 1.0

Magnesium binding site 3 out of 4 in the Monobody 12VC3 Bound to Hras(Wt)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Monobody 12VC3 Bound to Hras(Wt) within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg201 b:24.1 occ:1.00 O2B G:GSP202 2.0 19.4 1.0 OG1 G:THR35 2.0 27.3 1.0 O G:HOH327 2.0 25.2 1.0 O G:HOH323 2.0 25.8 1.0 OG G:SER17 2.0 30.0 1.0 O3G G:GSP202 2.1 22.5 1.0 CB G:THR35 3.1 30.9 1.0 CB G:SER17 3.1 30.7 1.0 PG G:GSP202 3.2 24.3 1.0 PB G:GSP202 3.3 24.2 1.0 O3B G:GSP202 3.5 23.1 1.0 O2G G:GSP202 3.8 28.1 1.0 N G:THR35 3.8 24.2 1.0 OD2 G:ASP57 3.9 37.3 1.0 N G:SER17 3.9 29.0 1.0 CA G:THR35 4.0 28.5 1.0 CA G:SER17 4.1 31.0 1.0 OD1 G:ASP57 4.1 37.6 1.0 CG2 G:THR35 4.1 30.7 1.0 O1A G:GSP202 4.2 30.8 1.0 O1B G:GSP202 4.3 23.9 1.0 O3A G:GSP202 4.3 29.7 1.0 CG G:ASP57 4.4 46.2 1.0 O G:ASP33 4.4 25.6 1.0 PA G:GSP202 4.5 28.0 1.0 O2A G:GSP202 4.6 29.1 1.0 O G:THR58 4.6 26.8 1.0 C G:PRO34 4.8 23.7 1.0 S1G G:GSP202 4.8 26.1 1.0 CB G:LYS16 4.9 26.7 1.0

Magnesium binding site 4 out of 4 in the Monobody 12VC3 Bound to Hras(Wt)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Monobody 12VC3 Bound to Hras(Wt) within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg201 b:16.7 occ:1.00 O2B L:GSP202 2.0 15.3 1.0 O L:HOH358 2.0 14.9 1.0 OG L:SER17 2.0 20.0 1.0 OG1 L:THR35 2.0 18.7 1.0 O3G L:GSP202 2.1 19.9 1.0 O L:HOH352 2.1 17.3 1.0 CB L:SER17 3.1 22.6 1.0 CB L:THR35 3.1 20.4 1.0 PB L:GSP202 3.2 16.0 1.0 PG L:GSP202 3.3 17.8 1.0 O3B L:GSP202 3.5 18.1 1.0 N L:THR35 3.9 19.8 1.0 N L:SER17 3.9 20.0 1.0 O2G L:GSP202 3.9 17.3 1.0 OD2 L:ASP57 4.0 34.6 1.0 CA L:SER17 4.0 21.1 1.0 OD1 L:ASP57 4.1 34.6 1.0 CA L:THR35 4.1 20.4 1.0 O1A L:GSP202 4.1 18.6 1.0 CG2 L:THR35 4.1 20.7 1.0 O3A L:GSP202 4.3 19.1 1.0 O L:HOH378 4.3 45.8 1.0 O1B L:GSP202 4.3 15.0 1.0 CG L:ASP57 4.4 35.7 1.0 O L:ASP33 4.4 21.6 1.0 PA L:GSP202 4.5 20.0 1.0 O L:THR58 4.6 21.0 1.0 O2A L:GSP202 4.6 19.0 1.0 C L:PRO34 4.8 19.3 1.0 CB L:LYS16 4.9 18.1 1.0 S1G L:GSP202 4.9 20.0 1.0 C L:LYS16 5.0 18.8 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.