Magnesium in PDB 7raa: Designed Stabil-2 SEQ15

The structure of Designed Stabil-2 SEQ15, PDB code: 7raa was solved by K.M.Jude, A.E.Chu, P.-S.Huang, K.C.Garcia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.77 / 2.69
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	66.372, 66.372, 298.302, 90, 90, 90
R / Rfree (%)	25 / 29.4

The binding sites of Magnesium atom in the Designed Stabil-2 SEQ15 (pdb code 7raa). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Designed Stabil-2 SEQ15, PDB code: 7raa:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Designed Stabil-2 SEQ15


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Designed Stabil-2 SEQ15 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:93.2 occ:1.00 O A:HOH301 2.2 76.8 1.0 O A:HOH305 2.2 79.8 1.0 O C:HOH201 2.3 82.8 1.0 OE1 A:GLU105 3.0 93.3 1.0 O A:THR106 3.0 86.6 1.0 CD A:GLU105 4.2 99.6 1.0 C A:THR106 4.2 82.3 1.0 OE1 A:GLU111 4.5 86.5 1.0 CA A:ALA107 4.5 75.5 1.0 OE1 C:GLU101 4.6 113.9 1.0 CB A:GLU105 4.7 83.4 1.0 N A:ALA107 4.8 72.5 1.0 OE2 A:GLU105 4.9 97.5 1.0 CB A:ALA107 5.0 69.4 1.0

Magnesium binding site 2 out of 2 in the Designed Stabil-2 SEQ15


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Designed Stabil-2 SEQ15 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg201 b:71.3 occ:1.00 O B:HOH301 2.5 94.4 1.0 O B:THR106 2.9 109.8 1.0 CA B:ALA107 3.6 99.3 1.0 OE2 B:GLU111 3.7 93.6 1.0 CB B:ALA107 3.9 100.0 1.0 C B:THR106 3.9 107.9 1.0 OE1 B:GLU111 4.0 95.8 1.0 CD B:GLU111 4.2 89.3 1.0 N B:ALA107 4.2 94.8 1.0 NZ B:LYS38 4.5 103.5 1.0 C B:ALA107 4.8 94.2 1.0 N B:THR108 4.8 85.5 1.0

J.Ren, A.E.Chu, K.M.Jude, L.K.Picton, A.J.Kare, L.Su, J.Liu, A.Montano Romero, P.-S.Huang, K.C.Garcia. Simple Mutations Discovered By Computational Design Yield Stabilized Il-2 Variants with Superkine Properties To Be Published.