Manganese in PDB 3zhx: Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue

All present enzymatic activity of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue:
1.1.1.267;

The structure of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue, PDB code: 3zhx was solved by C.Bjorkelid, A.M.Jansson, T.Bergfors, T.Unge, S.L.Mowbray, T.A.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	80.51 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.710, 66.990, 84.610, 90.00, 107.90, 90.00
R / Rfree (%)	18.394 / 23.043

The structure of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Manganese atom in the Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue (pdb code 3zhx). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue, PDB code: 3zhx:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:26.4 occ:1.00 OE2 A:GLU222 2.1 22.3 1.0 OE1 A:GLU153 2.1 19.6 1.0 O2 A:FM6501 2.2 31.5 1.0 OD2 A:ASP151 2.2 32.5 1.0 O1 A:FM6501 2.2 27.7 1.0 OD1 A:ASP151 2.3 31.7 1.0 CG A:ASP151 2.5 28.6 1.0 C1 A:FM6501 2.9 29.7 1.0 CD A:GLU153 2.9 18.5 1.0 N1 A:FM6501 2.9 30.6 1.0 CD A:GLU222 3.1 20.9 1.0 OE2 A:GLU153 3.1 19.0 1.0 OE1 A:GLU222 3.6 20.4 1.0 CB A:ASP151 4.0 27.3 1.0 OG A:SER152 4.0 25.2 1.0 O A:HOH2111 4.1 40.4 1.0 ND2 A:ASN218 4.1 18.9 1.0 CG A:GLU222 4.2 19.4 1.0 CG A:GLU153 4.3 17.6 1.0 NZ A:LYS128 4.3 38.7 1.0 C2 A:FM6501 4.3 29.3 1.0 C12 A:FM6501 4.4 31.0 1.0 N A:SER152 4.4 21.5 1.0 N A:GLU153 4.5 16.9 1.0 C4 A:FM6501 4.6 27.5 1.0 CA A:ASP151 4.7 23.8 1.0 CB A:GLU153 4.7 16.4 1.0 C3 A:FM6501 4.7 29.2 1.0 CE A:LYS128 4.8 36.7 1.0 NZ A:LYS219 4.8 15.6 1.0 C A:ASP151 4.8 23.3 1.0

Manganese binding site 2 out of 2 in the Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn401 b:43.4 occ:1.00 OE2 B:GLU222 2.2 29.5 1.0 OE1 B:GLU153 2.2 26.1 1.0 OD1 B:ASP151 2.2 35.7 1.0 OD2 B:ASP151 2.5 36.0 1.0 CG B:ASP151 2.7 31.3 1.0 O B:HOH2188 2.9 25.6 1.0 CD B:GLU153 3.0 21.3 1.0 OE2 B:GLU153 3.3 25.4 1.0 CD B:GLU222 3.3 23.2 1.0 O B:HOH2167 3.8 38.5 1.0 OE1 B:GLU222 3.9 26.2 1.0 O B:HOH2183 4.0 38.3 1.0 CB B:ASP151 4.2 24.3 1.0 CG B:GLU153 4.4 18.0 1.0 CG B:GLU222 4.5 18.1 1.0 N B:SER152 4.6 17.7 1.0 N B:GLU153 4.7 13.6 1.0 NZ B:LYS219 4.8 13.1 1.0 CB B:GLU153 4.9 15.5 1.0 CA B:ASP151 5.0 19.3 1.0

A.M.Jansson, A.Wieckowska, C.Bjorkelid, S.Yahiaoui, S.Sooriyaarachchi, M.Lindh, T.Bergfors, S.Dharavath, M.Desroses, S.Suresh, M.Andaloussi, R.Nikhil, S.Sreevalli, B.R.Srinivasa, M.Larhed, T.A.Jones, A.Karlen, S.L.Mowbray. Dxr Inhibition By Potent Mono- and Disubstituted Fosmidomycin Analogues. J.Med.Chem. V. 56 6190 2013.
ISSN: ISSN 0022-2623
PubMed: 23819803
DOI: 10.1021/JM4006498