Magnesium in PDB 4c7h: Leismania Major N-Myristoyltransferase in Complex with A Peptidomimetic (-NH2) Molecule

All present enzymatic activity of Leismania Major N-Myristoyltransferase in Complex with A Peptidomimetic (-NH2) Molecule:
2.3.1.97;

The structure of Leismania Major N-Myristoyltransferase in Complex with A Peptidomimetic (-NH2) Molecule, PDB code: 4c7h 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)	22.26 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.659, 91.131, 53.777, 90.00, 113.85, 90.00
R / Rfree (%)	17.26 / 20.492

The binding sites of Magnesium atom in the Leismania Major N-Myristoyltransferase in Complex with A Peptidomimetic (-NH2) Molecule (pdb code 4c7h). 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 (-NH2) Molecule, PDB code: 4c7h:

Magnesium binding site 1 out of 1 in the Leismania Major N-Myristoyltransferase in Complex with A Peptidomimetic (-NH2) 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 (-NH2) Molecule within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1422 b:26.4 occ:1.00 O A:LEU175 2.7 21.3 1.0 O2A A:MYA1425 2.8 13.8 0.8 O1A A:COA1424 2.8 41.6 0.2 N A:LYS178 2.9 19.1 1.0 N A:LEU180 3.0 18.6 1.0 O4A A:COA1424 3.2 33.6 0.2 O4A A:MYA1425 3.2 13.9 0.8 N A:ARG179 3.3 20.9 1.0 N A:GLU177 3.5 19.6 1.0 CA A:LYS178 3.5 21.4 1.0 CB A:LEU180 3.5 19.0 1.0 C A:LYS178 3.5 20.8 1.0 CB A:LYS178 3.6 22.8 1.0 P1A A:COA1424 3.7 41.8 0.2 P1A A:MYA1425 3.7 14.7 0.8 CA A:LEU180 3.7 18.2 1.0 C A:ARG176 3.8 19.7 1.0 C A:LEU175 3.8 19.4 1.0 O2A A:COA1424 3.8 42.5 0.2 O1A A:MYA1425 3.8 14.9 0.8 C A:GLU177 3.9 21.4 1.0 C A:ARG179 4.0 20.0 1.0 CA A:ARG176 4.0 19.9 1.0 CG1 A:VAL171 4.1 17.2 1.0 CA A:ARG179 4.1 20.9 1.0 CA A:GLU177 4.1 20.4 1.0 P2A A:COA1424 4.2 34.3 0.2 O A:LYS178 4.3 23.4 1.0 P2A A:MYA1425 4.3 14.6 0.8 N A:ALA181 4.3 14.3 1.0 O3A A:COA1424 4.3 37.3 0.2 O3A A:MYA1425 4.3 15.5 0.8 N A:ARG176 4.4 18.6 1.0 CG A:LYS178 4.5 26.7 1.0 O A:ARG176 4.5 24.0 1.0 C A:LEU180 4.6 17.4 1.0 O6A A:COA1424 4.8 29.9 0.2 O6A A:MYA1425 4.8 13.7 0.8 CG A:LEU180 4.8 19.7 1.0 CG2 A:VAL171 4.9 14.2 1.0 CB A:VAL171 4.9 14.2 1.0 CA A:LEU175 5.0 20.5 0.5 CA A:LEU175 5.0 20.6 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