Magnesium in PDB 3wqm: Crystal Structure of RV3378C with Inhibitor Bph-629

All present enzymatic activity of Crystal Structure of RV3378C with Inhibitor Bph-629:
3.1.7.8; 3.1.7.9;

The structure of Crystal Structure of RV3378C with Inhibitor Bph-629, PDB code: 3wqm was solved by H.C.Chan, X.Feng, T.P.Ko, C.H.Huang, Y.Hu, Y.Zheng, S.Bogue, C.Nakano, T.Hoshino, L.Zhang, P.Lv, W.Liu, D.C.Crick, P.H.Liang, A.H.Wang, E.Oldfield, R.T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.10
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.417, 105.417, 65.991, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 23.7

The binding sites of Magnesium atom in the Crystal Structure of RV3378C with Inhibitor Bph-629 (pdb code 3wqm). 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 Crystal Structure of RV3378C with Inhibitor Bph-629, PDB code: 3wqm:

Magnesium binding site 1 out of 1 in the Crystal Structure of RV3378C with Inhibitor Bph-629


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of RV3378C with Inhibitor Bph-629 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:64.0 occ:1.00 OAB A:B29401 2.1 65.2 1.0 OAE A:B29401 2.1 69.4 1.0 OD2 A:ASP34 2.2 56.5 1.0 OAD A:B29402 2.3 91.6 1.0 OAB A:B29402 2.4 89.8 1.0 PBD A:B29401 3.0 65.8 1.0 O A:HOH646 3.1 62.4 1.0 PBC A:B29401 3.3 68.0 1.0 CG A:ASP34 3.3 55.9 1.0 OAF A:B29401 3.4 66.1 1.0 CBB A:B29401 3.6 67.2 1.0 PBC A:B29402 3.6 91.4 1.0 PBD A:B29402 3.6 91.1 1.0 OAC A:B29401 3.7 67.2 1.0 N A:GLY35 3.7 45.3 1.0 OD1 A:ASP34 3.8 58.8 1.0 OAA A:B29401 4.0 69.7 1.0 CBB A:B29402 4.0 91.2 1.0 OAC A:B29402 4.1 90.4 1.0 OAA A:B29402 4.2 91.4 1.0 OAG A:B29402 4.3 91.7 1.0 CA A:GLY35 4.4 44.5 1.0 NH2 A:ARG38 4.5 50.6 1.0 OAG A:B29401 4.5 64.5 1.0 OAD A:B29401 4.6 67.2 1.0 CB A:ASP34 4.6 51.4 1.0 CA A:ASP34 4.7 47.4 1.0 C A:ASP34 4.7 45.6 1.0 OAE A:B29402 4.9 90.9 1.0 N A:THR36 4.9 46.4 1.0 OAF A:B29402 5.0 91.3 1.0

H.C.Chan, X.Feng, T.P.Ko, C.H.Huang, Y.Hu, Y.Zheng, S.Bogue, C.Nakano, T.Hoshino, L.Zhang, P.Lv, W.Liu, D.C.Crick, P.H.Liang, A.H.Wang, E.Oldfield, R.T.Guo. Structure and Inhibition of Tuberculosinol Synthase and Decaprenyl Diphosphate Synthase From Mycobacterium Tuberculosis. J.Am.Chem.Soc. V. 136 2892 2014.
ISSN: ISSN 0002-7863
PubMed: 24475925
DOI: 10.1021/JA413127V