Magnesium in PDB 1l4x: Octameric De Novo Designed Peptide

The structure of Octameric De Novo Designed Peptide, PDB code: 1l4x was solved by M.Meier, A.Lustig, U.Aebi, P.Burkhard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.02 / 2.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	56.628, 56.628, 113.869, 90.00, 90.00, 120.00
R / Rfree (%)	24.2 / 27.8

The structure of Octameric De Novo Designed Peptide also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Octameric De Novo Designed Peptide (pdb code 1l4x). 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 Octameric De Novo Designed Peptide, PDB code: 1l4x:

Magnesium binding site 1 out of 1 in the Octameric De Novo Designed Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Octameric De Novo Designed Peptide within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg201 b:42.5 occ:1.00 O H:HOH211 1.9 38.3 1.0 OE2 H:GLU2 1.9 44.9 1.0 O H:HOH203 1.9 35.6 1.0 O H:HOH207 2.2 39.7 1.0 CD H:GLU2 3.0 51.2 1.0 OE1 H:GLU2 3.3 47.4 1.0 O H:HOH223 3.8 71.2 1.0 O H:HOH202 4.2 47.3 1.0 OE2 G:GLU9 4.3 56.9 1.0 CG H:GLU2 4.3 39.7 1.0 O H:GLU2 4.5 38.3 1.0 CD G:ARG5 4.5 47.6 1.0 CB H:GLU2 4.6 41.9 1.0 CA H:GLU2 4.7 45.6 1.0 CD G:GLU9 4.8 54.5 1.0 NE G:ARG5 5.0 45.1 1.0

M.Meier, A.Lustig, U.Aebi, P.Burkhard. Removing An Interhelical Salt Bridge Abolishes Coiled-Coil Formation in A De Novo Designed Peptide J.Struct.Biol. V. 137 65 2002.
ISSN: ISSN 1047-8477
PubMed: 12064934
DOI: 10.1006/JSBI.2002.4467