Magnesium in PDB 4uvg: Discovery of Pyrimidine Isoxazoles Inha in Complex with Compound 15

All present enzymatic activity of Discovery of Pyrimidine Isoxazoles Inha in Complex with Compound 15:
1.3.1.9;

The structure of Discovery of Pyrimidine Isoxazoles Inha in Complex with Compound 15, PDB code: 4uvg was solved by J.A.Read, H.Gingell, P.Madhavapeddi, S.Ghorpade, S.Cowan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.67 / 1.92
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	96.229, 96.229, 139.841, 90.00, 90.00, 120.00
R / Rfree (%)	16.3 / 18.8

The binding sites of Magnesium atom in the Discovery of Pyrimidine Isoxazoles Inha in Complex with Compound 15 (pdb code 4uvg). 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 Discovery of Pyrimidine Isoxazoles Inha in Complex with Compound 15, PDB code: 4uvg:

Magnesium binding site 1 out of 1 in the Discovery of Pyrimidine Isoxazoles Inha in Complex with Compound 15


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Discovery of Pyrimidine Isoxazoles Inha in Complex with Compound 15 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1271 b:49.0 occ:1.00 O A:ASP52 2.1 25.6 1.0 OH5 A:1PE1272 2.4 50.1 1.0 OH3 A:1PE1272 2.5 45.5 1.0 OH4 A:1PE1272 2.5 41.6 1.0 O A:HOH2315 2.6 59.0 1.0 OH6 A:1PE1272 2.6 48.4 1.0 OH2 A:1PE1272 2.7 47.5 1.0 C A:ASP52 3.3 25.7 1.0 C15 A:1PE1272 3.3 47.9 1.0 C13 A:1PE1272 3.3 41.6 1.0 C25 A:1PE1272 3.3 49.6 1.0 C23 A:1PE1272 3.3 42.8 1.0 C24 A:1PE1272 3.4 42.7 1.0 C14 A:1PE1272 3.4 45.9 1.0 C22 A:1PE1272 3.4 46.7 1.0 C26 A:1PE1272 3.5 50.7 1.0 C12 A:1PE1272 3.5 48.4 1.0 C16 A:1PE1272 3.9 52.3 1.0 N A:ARG53 4.1 21.9 1.0 CA A:ASP52 4.2 21.9 1.0 CA A:ARG53 4.2 21.8 1.0 CB A:ASP52 4.3 23.8 1.0 O A:LEU54 4.8 25.5 1.0 C A:ARG53 4.8 23.9 1.0

P.Madhavapeddi, R.R.Kale, S.D.Cowen, S.R.Ghorpade, G.Davies, E.V.Bellale, M.G.Kale, A.Srivastava, L.Spadola, A.Kawatkar, A.V.Raichurkar, M.Tonge, R.Nandishaiah, S.Guptha, A.Narayan, H.Gingell, D.Plant, S.Landge, S.Menasinakai, K.R.Prabhakar, V.Achar, A.Ambady, V.K.Sambandamurthy, V.Ramachandran, V.Panduga, J.Reddy, C.N.N.Kumar, P.Kaur, R.Shandil, P.S.Iyer, S.Narayanan, J.A.Read. Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To Be Published.