Magnesium in PDB 4uve: Discovery of Pyrimidine Isoxazoles Inha in Complex with Compound 9

All present enzymatic activity of Discovery of Pyrimidine Isoxazoles Inha in Complex with Compound 9:
1.3.1.9;

The structure of Discovery of Pyrimidine Isoxazoles Inha in Complex with Compound 9, PDB code: 4uve 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)	72.38 / 1.99
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	97.469, 97.469, 140.698, 90.00, 90.00, 120.00
R / Rfree (%)	14.877 / 17.487

The binding sites of Magnesium atom in the Discovery of Pyrimidine Isoxazoles Inha in Complex with Compound 9 (pdb code 4uve). 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 9, PDB code: 4uve:

Magnesium binding site 1 out of 1 in the Discovery of Pyrimidine Isoxazoles Inha in Complex with Compound 9


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 9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1271 b:36.3 occ:1.00 O A:ASP52 2.3 26.8 1.0 O A:HOH2304 2.4 39.0 1.0 C A:ASP52 3.4 27.7 1.0 N A:ARG53 4.3 25.9 1.0 CB A:ASP52 4.3 30.4 1.0 CA A:ASP52 4.3 29.1 1.0 CA A:ARG53 4.3 26.2 1.0 O A:HOH2001 4.6 51.9 1.0 O A:LEU54 4.9 25.2 1.0 C A:ARG53 5.0 26.2 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.