Magnesium in PDB 8wwc: De Novo Design Binder of Hras -120-4

The structure of De Novo Design Binder of Hras -120-4, PDB code: 8wwc was solved by L.Wang, S.Wang, Y.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.85 / 2.80
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	89.967, 89.967, 188.124, 90, 90, 120
R / Rfree (%)	21.8 / 24.7

The binding sites of Magnesium atom in the De Novo Design Binder of Hras -120-4 (pdb code 8wwc). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the De Novo Design Binder of Hras -120-4, PDB code: 8wwc:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the De Novo Design Binder of Hras -120-4


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of De Novo Design Binder of Hras -120-4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:71.8 occ:1.00 O2B A:GNP201 2.1 57.3 1.0 OG1 A:THR35 2.1 80.4 1.0 OG A:SER17 2.1 58.1 1.0 O1G A:GNP201 2.3 64.7 1.0 CB A:SER17 3.0 51.5 1.0 O1A A:GNP201 3.1 64.6 1.0 PB A:GNP201 3.2 49.4 1.0 O A:ASP33 3.3 71.9 1.0 N3B A:GNP201 3.4 59.9 1.0 PG A:GNP201 3.4 52.8 1.0 CB A:THR35 3.5 63.4 1.0 N A:THR35 3.7 64.7 1.0 PA A:GNP201 3.9 53.4 1.0 O3A A:GNP201 4.0 55.8 1.0 O2A A:GNP201 4.1 42.1 1.0 CA A:THR35 4.1 64.3 1.0 N A:SER17 4.2 53.2 1.0 CA A:SER17 4.2 48.7 1.0 C A:PRO34 4.3 71.0 1.0 C A:ASP33 4.4 70.8 1.0 CA A:PRO34 4.4 68.4 1.0 O3G A:GNP201 4.4 55.3 1.0 O1B A:GNP201 4.4 52.7 1.0 CG2 A:THR35 4.5 65.0 1.0 O2G A:GNP201 4.5 74.6 1.0 OD2 A:ASP57 4.5 60.7 1.0 N A:PRO34 4.9 69.0 1.0

Magnesium binding site 2 out of 2 in the De Novo Design Binder of Hras -120-4


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of De Novo Design Binder of Hras -120-4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:74.2 occ:1.00 OG1 B:THR35 2.0 84.2 1.0 O3G B:GNP201 2.0 77.7 1.0 O1B B:GNP201 2.1 63.9 1.0 OG B:SER17 2.3 61.7 1.0 O2A B:GNP201 2.7 87.4 1.0 N3B B:GNP201 2.8 61.1 1.0 PG B:GNP201 2.9 64.0 1.0 PB B:GNP201 2.9 53.8 1.0 CB B:THR35 3.3 72.1 1.0 CB B:SER17 3.4 54.0 1.0 N B:THR35 3.5 72.2 1.0 O2G B:GNP201 3.6 63.1 1.0 PA B:GNP201 3.7 55.0 1.0 O3A B:GNP201 3.8 48.0 1.0 O B:ASP33 3.8 88.6 1.0 CA B:THR35 4.0 70.8 1.0 O1G B:GNP201 4.2 82.7 1.0 O2B B:GNP201 4.2 59.7 1.0 N B:SER17 4.2 62.1 1.0 OD2 B:ASP57 4.2 73.2 1.0 C B:PRO34 4.3 74.3 1.0 CG2 B:THR35 4.4 67.8 1.0 CA B:PRO34 4.4 73.5 1.0 CA B:SER17 4.4 57.4 1.0 O1A B:GNP201 4.6 55.0 1.0 C B:ASP33 4.7 77.0 1.0 CE1 B:TYR32 4.9 83.9 1.0 OD1 B:ASP57 4.9 80.0 1.0 O5' B:GNP201 4.9 63.9 1.0

L.Wang, S.Wang, Y.Liu. De Novo Design Hras Binder 120-4 To Be Published.