Chlorine in PDB 3zi0: 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: 3zi0 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)	81.80 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.447, 68.707, 85.700, 90.00, 107.34, 90.00
R / Rfree (%)	20.488 / 23.132

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

Manganese

(Mn)

1 atom

The binding sites of Chlorine atom in the Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue (pdb code 3zi0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue, PDB code: 3zi0:
Jump to Chlorine binding site number: 1; 2;

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl501 b:61.0 occ:1.00 CL1 A:FM8501 0.0 61.0 1.0 C8 A:FM8501 1.7 51.6 1.0 C7 A:FM8501 2.7 49.1 1.0 C9 A:FM8501 2.7 51.6 1.0 CL2 A:FM8501 3.1 55.3 1.0 C19 A:FM8501 3.8 63.6 1.0 C6 A:FM8501 4.0 44.0 1.0 C10 A:FM8501 4.0 47.9 1.0 N3 A:FM8501 4.1 60.8 1.0 CB A:SER213 4.3 25.7 1.0 OG1 A:THR210 4.3 46.2 1.0 OG A:SER213 4.3 27.5 1.0 CA A:THR210 4.4 39.5 1.0 C11 A:FM8501 4.5 46.2 1.0 CG2 A:THR210 4.6 42.8 1.0 CB A:THR210 4.7 41.9 1.0 N4 A:FM8501 4.8 63.4 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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 A:Cl501 b:55.3 occ:1.00 CL2 A:FM8501 0.0 55.3 1.0 C9 A:FM8501 1.7 51.6 1.0 C10 A:FM8501 2.7 47.9 1.0 C8 A:FM8501 2.7 51.6 1.0 CL1 A:FM8501 3.1 61.0 1.0 C11 A:FM8501 4.0 46.2 1.0 C7 A:FM8501 4.0 49.1 1.0 C15 A:FM8501 4.5 53.8 1.0 C6 A:FM8501 4.5 44.0 1.0 C16 A:FM8501 5.0 50.1 1.0 C14 A:FM8501 5.0 56.6 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