Magnesium in PDB 5m41: Crystal Structure of Nigritoxine

The structure of Crystal Structure of Nigritoxine, PDB code: 5m41 was solved by M.Czjzek, L.Labreuche, A.Jeudy, F.Le Roux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.00 / 2.10
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	185.160, 185.160, 185.160, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 22.6

The binding sites of Magnesium atom in the Crystal Structure of Nigritoxine (pdb code 5m41). 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 Crystal Structure of Nigritoxine, PDB code: 5m41:

Magnesium binding site 1 out of 1 in the Crystal Structure of Nigritoxine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Nigritoxine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg801 b:39.2 occ:1.00 OD1 A:ASP195 2.1 49.7 1.0 O A:GLU192 2.2 43.3 1.0 O A:HOH955 2.3 50.0 1.0 O A:VAL189 2.5 36.0 1.0 O A:HOH963 2.5 36.2 1.0 O A:HOH934 2.5 52.8 1.0 CG A:ASP195 3.1 48.3 1.0 OD2 A:ASP195 3.4 51.6 1.0 C A:GLU192 3.4 45.7 1.0 C A:VAL189 3.6 36.0 1.0 CA A:SER190 3.8 38.9 1.0 O A:SER190 3.9 39.9 1.0 C A:SER190 3.9 39.1 1.0 N A:GLU192 4.0 40.5 1.0 N A:SER190 4.2 37.4 1.0 CA A:GLU192 4.3 43.9 1.0 N A:ASN193 4.3 50.9 1.0 CA A:ASN193 4.4 53.6 1.0 CG1 A:VAL189 4.4 36.1 1.0 CB A:ASP195 4.4 46.3 1.0 C A:ASN193 4.5 56.0 1.0 O A:ASN193 4.6 58.5 1.0 N A:ASP195 4.6 47.0 1.0 CA A:ASP195 4.7 48.1 1.0 N A:GLN191 4.7 37.6 1.0 O A:HOH1072 4.7 42.3 1.0 CA A:VAL189 4.8 33.9 1.0 CB A:GLU192 5.0 42.9 1.0 C A:GLN191 5.0 40.6 1.0

Y.Labreuche, S.Chenivesse, A.Jeudy, S.Le Panse, V.Boulo, D.Ansquer, S.Pages, A.Givaudan, M.Czjzek, F.Le Roux. Nigritoxin Is A Bacterial Toxin For Crustaceans and Insects. Nat Commun V. 8 1248 2017.
ISSN: ESSN 2041-1723
PubMed: 29093459
DOI: 10.1038/S41467-017-01445-Z