Magnesium in PDB 9hij: X-Ray Structure of PERM1, A Circularly Permuted Mutant of the Sweet Protein Mnei

The structure of X-Ray Structure of PERM1, A Circularly Permuted Mutant of the Sweet Protein Mnei, PDB code: 9hij was solved by A.Bologna, P.-H.Wang, S.Gramazio, L.-O.Essen, R.Spadaccini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.08 / 1.60
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	45.646, 31.599, 127.006, 90, 100.2, 90
R / Rfree (%)	17.1 / 19.1

The binding sites of Magnesium atom in the X-Ray Structure of PERM1, A Circularly Permuted Mutant of the Sweet Protein Mnei (pdb code 9hij). 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 X-Ray Structure of PERM1, A Circularly Permuted Mutant of the Sweet Protein Mnei, PDB code: 9hij:

Magnesium binding site 1 out of 1 in the X-Ray Structure of PERM1, A Circularly Permuted Mutant of the Sweet Protein Mnei


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Structure of PERM1, A Circularly Permuted Mutant of the Sweet Protein Mnei within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg203 b:49.2 occ:1.00 OE2 A:GLU53 1.8 74.5 1.0 O A:HOH302 2.0 43.1 1.0 OE2 A:GLU55 2.1 29.1 1.0 O A:HOH301 2.2 63.8 1.0 O A:HOH315 2.6 48.9 1.0 CD A:GLU53 2.8 67.9 1.0 CD A:GLU55 3.0 26.3 1.0 OE1 A:GLU55 3.3 26.1 1.0 HG2 A:GLU53 3.3 76.9 1.0 CG A:GLU53 3.6 64.1 1.0 OE1 A:GLU53 3.6 70.9 1.0 HG3 A:GLU53 4.1 76.9 1.0 O A:TRP54 4.4 26.1 1.0 CG A:GLU55 4.4 22.0 1.0 HG2 A:GLU55 4.5 26.4 1.0 HG3 A:GLU55 4.8 26.4 1.0 HB3 A:GLU53 4.8 75.0 1.0 CB A:GLU53 4.9 62.5 1.0

R.Lucignano, A.Bologna, S.Gramazio, P.H.Wang, C.Taxis, L.O.Essen, D.Picone, R.Spadaccini. Unravelling the Amyloid Aggregation Mechanism of the Sweet Protein Monellin: Insights From Circular Permutated Mutants. Int.J.Biol.Macromol. 42239 2025.
ISSN: ISSN 0141-8130
PubMed: 40118405
DOI: 10.1016/J.IJBIOMAC.2025.142239