Magnesium in PDB 6xne: GCN4-P1 Peptide Trimer with P-Methylphenylalanine Residue at Position 16 (Me-F16)

The structure of GCN4-P1 Peptide Trimer with P-Methylphenylalanine Residue at Position 16 (Me-F16), PDB code: 6xne was solved by R.K.Rowe Hartje, R.S.Czarny, A.Ho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.10 / 1.96
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.138, 34.891, 47.041, 90, 100.63, 90
R / Rfree (%)	21 / 30.9

The structure of GCN4-P1 Peptide Trimer with P-Methylphenylalanine Residue at Position 16 (Me-F16) also contains other interesting chemical elements:

Sodium

(Na)

6 atoms

The binding sites of Magnesium atom in the GCN4-P1 Peptide Trimer with P-Methylphenylalanine Residue at Position 16 (Me-F16) (pdb code 6xne). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the GCN4-P1 Peptide Trimer with P-Methylphenylalanine Residue at Position 16 (Me-F16), PDB code: 6xne:

Magnesium binding site 1 out of 1 in the GCN4-P1 Peptide Trimer with P-Methylphenylalanine Residue at Position 16 (Me-F16)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of GCN4-P1 Peptide Trimer with P-Methylphenylalanine Residue at Position 16 (Me-F16) within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg103 b:37.7 occ:1.00 O C:HOH215 2.7 36.9 1.0 O C:GLN4 3.0 26.8 1.0 CE C:LYS8 3.3 21.3 1.0 CA C:GLN4 3.3 37.0 1.0 C C:GLN4 3.6 31.4 1.0 CB C:ASP7 3.6 39.2 1.0 CG C:LYS8 3.6 27.0 1.0 CB C:GLN4 3.6 36.0 1.0 CD C:LYS8 3.8 30.7 1.0 NZ C:LYS8 3.9 26.7 1.0 N C:LYS8 3.9 20.4 1.0 CG C:GLN4 4.2 25.4 1.0 OD2 C:ASP7 4.4 59.8 1.0 C C:ASP7 4.4 28.5 1.0 CG C:ASP7 4.4 49.6 1.0 CA C:ASP7 4.4 28.4 1.0 CB C:LYS8 4.6 21.5 1.0 N C:GLN4 4.6 30.9 1.0 OE2 C:GLU11 4.6 43.7 1.0 CA C:LYS8 4.6 27.3 1.0 O C:LYS3 4.7 25.2 1.0 N C:ASP7 4.8 24.2 1.0 N C:LEU5 4.9 31.1 1.0

R.K.Rowe Hartje, M.Ferrero, G.Cavallo, P.Metrangolo, A.Ho, R.Czarny, P.S.Ho. Engineering Specific Protein-Protein Interactions Through Halogen and Hydrogen Bonds To Be Published.