Magnesium in PDB 4cgo: Leishmania Major N-Myristoyltransferase in Complex with A Thienopyrimidine Inhibitor

All present enzymatic activity of Leishmania Major N-Myristoyltransferase in Complex with A Thienopyrimidine Inhibitor:
2.3.1.97;

The structure of Leishmania Major N-Myristoyltransferase in Complex with A Thienopyrimidine Inhibitor, PDB code: 4cgo was solved by J.A.Brannigan, S.M.Roberts, A.S.Bell, J.A.Hutton, D.F.Smith, E.W.Tate, R.J.Leatherbarrow, A.J.Wilkinson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.36 / 1.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.813, 90.628, 53.200, 90.00, 111.91, 90.00
R / Rfree (%)	16.158 / 19.558

The binding sites of Magnesium atom in the Leishmania Major N-Myristoyltransferase in Complex with A Thienopyrimidine Inhibitor (pdb code 4cgo). 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 Leishmania Major N-Myristoyltransferase in Complex with A Thienopyrimidine Inhibitor, PDB code: 4cgo:

Magnesium binding site 1 out of 1 in the Leishmania Major N-Myristoyltransferase in Complex with A Thienopyrimidine Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Leishmania Major N-Myristoyltransferase in Complex with A Thienopyrimidine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1000 b:19.2 occ:1.00 O A:LEU175 2.7 14.5 1.0 O2A A:MYA1001 2.9 11.1 1.0 N A:LYS178 2.9 13.6 1.0 N A:LEU180 3.1 11.4 1.0 O4A A:MYA1001 3.1 12.0 1.0 N A:ARG179 3.2 12.3 1.0 N A:GLU177 3.4 12.9 1.0 CA A:LYS178 3.5 14.5 1.0 CB A:LEU180 3.5 12.8 1.0 C A:LYS178 3.5 13.0 1.0 CB A:LYS178 3.6 15.7 1.0 P1A A:MYA1001 3.6 11.1 1.0 O1A A:MYA1001 3.7 12.6 1.0 C A:ARG176 3.8 14.6 1.0 CA A:LEU180 3.8 11.9 1.0 C A:LEU175 3.9 13.0 1.0 C A:GLU177 4.0 15.6 1.0 CA A:ARG176 4.0 12.6 1.0 C A:ARG179 4.0 13.9 1.0 CA A:ARG179 4.1 14.1 1.0 CG1 A:VAL171 4.1 10.6 1.0 CA A:GLU177 4.2 15.1 1.0 P2A A:MYA1001 4.2 10.9 1.0 N A:ALA181 4.3 10.2 1.0 O3A A:MYA1001 4.3 11.1 1.0 O A:LYS178 4.3 15.9 1.0 N A:ARG176 4.4 12.5 1.0 CG A:LYS178 4.5 19.6 1.0 C A:LEU180 4.6 11.3 1.0 O A:ARG176 4.6 15.0 1.0 O6A A:MYA1001 4.7 10.8 1.0 CG2 A:VAL171 4.8 9.9 1.0 CG A:LEU180 4.8 14.1 1.0 CB A:VAL171 4.9 9.3 1.0

J.A.Brannigan, S.M.Roberts, A.S.Bell, J.A.Hutton, M.R.Hodgkinson, E.W.Tate, R.J.Leatherbarrow, D.F.Smith, A.J.Wilkinson. Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors Iucrj V. 1 250 2014.
ISSN: ISSN 2052-2525
PubMed: 25075346
DOI: 10.1107/S2052252514013001