Magnesium in PDB 5nmw: Crystal Structure of the Pyrrolizidine Alkaloid N-Oxygenase From Zonocerus Variegatus in Complex with Fad

The structure of Crystal Structure of the Pyrrolizidine Alkaloid N-Oxygenase From Zonocerus Variegatus in Complex with Fad, PDB code: 5nmw was solved by A.Scheidig, C.Kubitza, A.Faust, D.Ober, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	76.46 / 1.89
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	73.874, 76.277, 80.884, 71.96, 81.45, 81.21
R / Rfree (%)	19.1 / 21.9

The binding sites of Magnesium atom in the Crystal Structure of the Pyrrolizidine Alkaloid N-Oxygenase From Zonocerus Variegatus in Complex with Fad (pdb code 5nmw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the Pyrrolizidine Alkaloid N-Oxygenase From Zonocerus Variegatus in Complex with Fad, PDB code: 5nmw:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Pyrrolizidine Alkaloid N-Oxygenase From Zonocerus Variegatus in Complex with Fad


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 the Pyrrolizidine Alkaloid N-Oxygenase From Zonocerus Variegatus in Complex with Fad within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:34.2 occ:1.00 O B:HOH604 1.9 30.0 1.0 O B:HOH711 2.0 26.9 1.0 O B:HOH629 2.1 28.6 1.0 O B:HOH875 2.1 32.2 1.0 OE2 B:GLU368 3.6 47.9 1.0 O B:ALA372 3.7 24.8 1.0 O B:HOH741 3.9 35.9 1.0 O B:GLU367 4.1 24.0 1.0 O B:HOH881 4.2 30.0 1.0 OG1 B:THR374 4.2 28.9 1.0 O B:HOH655 4.5 23.5 1.0 C B:GLU367 4.6 23.1 1.0 O B:HOH814 4.6 40.2 1.0 CA B:GLU368 4.8 26.1 1.0 CD B:GLU368 4.8 41.5 1.0 N B:GLU368 4.9 24.9 1.0 C B:ALA372 4.9 22.1 1.0 CB B:GLU367 5.0 26.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Pyrrolizidine Alkaloid N-Oxygenase From Zonocerus Variegatus in Complex with Fad


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Pyrrolizidine Alkaloid N-Oxygenase From Zonocerus Variegatus in Complex with Fad within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg502 b:35.5 occ:1.00 O C:HOH607 1.9 30.0 1.0 O C:HOH724 2.0 28.9 1.0 O C:HOH683 2.0 29.0 1.0 O C:HOH655 2.1 33.9 1.0 OE2 C:GLU368 3.5 55.0 1.0 O C:ALA372 3.8 30.5 1.0 O C:HOH806 4.0 41.3 1.0 O C:GLU367 4.1 29.4 1.0 O C:HOH728 4.2 41.6 1.0 OG1 C:THR374 4.2 30.0 1.0 O C:HOH665 4.5 33.9 1.0 C C:GLU367 4.5 29.4 1.0 CD C:GLU368 4.7 47.2 1.0 CA C:GLU368 4.7 32.7 1.0 N C:GLU368 4.7 31.2 1.0 CB C:GLU367 4.9 28.8 1.0

C.Kubitza, A.Faust, M.Gutt, L.Gath, D.Ober, A.J.Scheidig. Crystal Structure of Pyrrolizidine Alkaloid N-Oxygenase From the Grasshopper Zonocerus Variegatus. Acta Crystallogr D Struct V. 74 422 2018BIOL.
ISSN: ISSN 2059-7983
PubMed: 29717713
DOI: 10.1107/S2059798318003510