Magnesium in PDB 9mnn: Crystal Structure of L. Monocytogenes Mend with MG2+ and Intermediate I Bound

All present enzymatic activity of Crystal Structure of L. Monocytogenes Mend with MG2+ and Intermediate I Bound:
2.2.1.9;

The structure of Crystal Structure of L. Monocytogenes Mend with MG2+ and Intermediate I Bound, PDB code: 9mnn was solved by M.Klein, F.M.Given, N.A.T.Ho, T.M.Allison, J.M.Johnston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.16 / 2.79
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	175.226, 175.226, 100.228, 90, 90, 120
R / Rfree (%)	18.7 / 25

The binding sites of Magnesium atom in the Crystal Structure of L. Monocytogenes Mend with MG2+ and Intermediate I Bound (pdb code 9mnn). 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 L. Monocytogenes Mend with MG2+ and Intermediate I Bound, PDB code: 9mnn:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of L. Monocytogenes Mend with MG2+ and Intermediate I Bound


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 L. Monocytogenes Mend with MG2+ and Intermediate I Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:55.7 occ:1.00 OD1 A:ASP459 1.8 55.1 1.0 OD1 A:ASN486 2.2 65.3 1.0 O2A A:TD6601 2.2 49.0 1.0 O2B A:TD6601 2.5 62.7 1.0 O A:GLY488 2.8 58.9 1.0 CG A:ASN486 2.9 60.5 1.0 CG A:ASP459 3.0 53.4 1.0 ND2 A:ASN486 3.0 77.8 1.0 O1B A:TD6601 3.1 75.8 1.0 PB A:TD6601 3.2 70.5 1.0 PA A:TD6601 3.3 49.5 1.0 N A:ASP459 3.4 41.3 1.0 O3A A:TD6601 3.4 65.9 1.0 OD2 A:ASP459 3.6 53.0 1.0 O A:VAL484 3.7 50.2 1.0 C A:GLY488 4.0 67.2 1.0 CA A:GLY458 4.0 45.2 1.0 N A:ASN486 4.1 51.0 1.0 CB A:ASP459 4.1 35.6 1.0 O7 A:TD6601 4.1 63.9 1.0 C A:GLY458 4.2 40.5 1.0 CB A:ASN486 4.3 54.8 1.0 CA A:ASP459 4.3 50.8 1.0 N A:LEU460 4.4 38.0 1.0 N A:GLY490 4.5 51.8 1.0 N A:GLY488 4.5 57.6 1.0 O1A A:TD6601 4.6 62.0 1.0 CA A:ASN486 4.6 44.4 1.0 O3B A:TD6601 4.6 65.2 1.0 CA A:GLY489 4.9 56.9 1.0 CA A:GLY488 4.9 80.1 1.0 N A:GLY489 4.9 55.5 1.0 C A:ASP459 4.9 48.4 1.0 N A:ASP487 4.9 63.7 1.0 C A:VAL484 4.9 39.2 1.0 C A:ASN486 4.9 58.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of L. Monocytogenes Mend with MG2+ and Intermediate I Bound


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 L. Monocytogenes Mend with MG2+ and Intermediate I Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:55.4 occ:1.00 O A:HOH702 2.3 68.5 1.0 O A:HOH717 2.4 49.9 1.0 O A:HOH726 2.5 51.8 1.0 O A:ALA43 2.5 76.6 1.0 O A:HIS45 3.0 70.1 1.0 C A:ALA43 3.7 65.3 1.0 C A:HIS45 4.1 81.3 1.0 CA A:ALA43 4.4 55.0 1.0 O A:LEU48 4.5 67.5 1.0 CA A:PRO46 4.6 66.5 1.0 N A:HIS45 4.7 71.3 1.0 N A:GLU44 4.8 54.8 1.0 C A:GLU44 4.8 62.9 1.0 N A:PRO46 4.8 71.3 1.0 O A:MET42 4.9 64.0 1.0 O A:PRO46 4.9 93.2 1.0 CA A:GLU44 5.0 60.7 1.0

M.Bailey, F.M.Given, N.A.T.Ho, F.G.Pearce, T.M.Allison, J.M.Johnston. Structures of Listeria Monocytogenes Mend in Thdp-Bound and in-Crystallo Captured Intermediate I-Bound Forms. Acta Crystallogr.,Sect.F 2025.
ISSN: ESSN 2053-230X
PubMed: 40673487
DOI: 10.1107/S2053230X25006181