Magnesium in PDB 4c7i: Leismania Major N-Myristoyltransferase in Complex with A Peptidomimetic (-Oh) Molecule

All present enzymatic activity of Leismania Major N-Myristoyltransferase in Complex with A Peptidomimetic (-Oh) Molecule:
2.3.1.97;

The structure of Leismania Major N-Myristoyltransferase in Complex with A Peptidomimetic (-Oh) Molecule, PDB code: 4c7i was solved by T.O.Olaleye, J.A.Brannigan, V.Goncalves, S.M.Roberts, R.J.Leatherbarrow, A.J.Wilkinson, E.W.Tate, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.57 / 1.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.641, 91.056, 53.596, 90.00, 113.98, 90.00
R / Rfree (%)	16.793 / 19.861

The binding sites of Magnesium atom in the Leismania Major N-Myristoyltransferase in Complex with A Peptidomimetic (-Oh) Molecule (pdb code 4c7i). 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 Leismania Major N-Myristoyltransferase in Complex with A Peptidomimetic (-Oh) Molecule, PDB code: 4c7i:

Magnesium binding site 1 out of 1 in the Leismania Major N-Myristoyltransferase in Complex with A Peptidomimetic (-Oh) Molecule


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Leismania Major N-Myristoyltransferase in Complex with A Peptidomimetic (-Oh) Molecule within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1423 b:19.0 occ:1.00 O A:LEU175 2.7 13.7 1.0 O2A A:MYA1422 2.8 10.3 1.0 N A:LYS178 2.9 13.8 1.0 N A:LEU180 3.0 11.8 1.0 O4A A:MYA1422 3.1 12.2 1.0 N A:ARG179 3.3 14.1 1.0 CB A:LEU180 3.4 14.6 1.0 N A:GLU177 3.5 14.2 1.0 CA A:LYS178 3.5 16.6 1.0 C A:LYS178 3.5 14.7 1.0 CB A:LYS178 3.7 16.1 1.0 P1A A:MYA1422 3.7 10.5 1.0 CA A:LEU180 3.8 12.0 1.0 O1A A:MYA1422 3.8 11.4 1.0 C A:ARG176 3.8 13.5 1.0 C A:LEU175 3.9 12.9 1.0 C A:GLU177 4.0 16.1 1.0 C A:ARG179 4.0 13.0 1.0 CA A:ARG176 4.0 14.4 1.0 CG1 A:VAL171 4.0 10.8 1.0 CA A:GLU177 4.1 15.5 0.5 CA A:ARG179 4.1 14.3 1.0 CA A:GLU177 4.2 16.2 0.5 P2A A:MYA1422 4.2 10.7 1.0 N A:ALA181 4.3 12.0 1.0 O A:LYS178 4.3 16.5 1.0 O3A A:MYA1422 4.3 11.2 1.0 N A:ARG176 4.4 13.1 1.0 CG A:LYS178 4.5 18.5 1.0 C A:LEU180 4.5 11.8 1.0 O A:ARG176 4.6 17.9 1.0 CG A:LEU180 4.7 14.2 1.0 O6A A:MYA1422 4.8 9.8 1.0 CG2 A:VAL171 4.8 11.6 1.0 CB A:VAL171 4.9 9.9 1.0 CB A:LEU175 5.0 14.6 0.5 CA A:LEU175 5.0 13.9 0.5

T.O.Olaleye, J.A.Brannigan, S.M.Roberts, R.J.Leatherbarrow, A.J.Wilkinson, E.W.Tate. Peptidomimetic Inhibitors of N-Myristoyltransferase From Human Malaria and Leishmaniasis Parasites. Org.Biomol.Chem. V. 12 8132 2014.
ISSN: ISSN 1477-0520
PubMed: 25230674
DOI: 10.1039/C4OB01669F