Iron in PDB 5hki: Crystal Structure of Mycobacterium Tuberculosis H37RV Orotate Phosphoribosyltransferase in Complex with Fe(III) Dicitrate

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis H37RV Orotate Phosphoribosyltransferase in Complex with Fe(III) Dicitrate:
2.4.2.10;

The structure of Crystal Structure of Mycobacterium Tuberculosis H37RV Orotate Phosphoribosyltransferase in Complex with Fe(III) Dicitrate, PDB code: 5hki was solved by S.Donini, D.M.Ferraris, G.Bolognesi, M.Rizzi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.99 / 2.40
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	52.421, 60.262, 65.181, 85.64, 89.90, 79.96
R / Rfree (%)	19.5 / 26

The binding sites of Iron atom in the Crystal Structure of Mycobacterium Tuberculosis H37RV Orotate Phosphoribosyltransferase in Complex with Fe(III) Dicitrate (pdb code 5hki). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Mycobacterium Tuberculosis H37RV Orotate Phosphoribosyltransferase in Complex with Fe(III) Dicitrate, PDB code: 5hki:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis H37RV Orotate Phosphoribosyltransferase in Complex with Fe(III) Dicitrate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Mycobacterium Tuberculosis H37RV Orotate Phosphoribosyltransferase in Complex with Fe(III) Dicitrate within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:82.6 occ:1.00 FE B:6ZJ201 0.0 82.6 1.0 O11 B:6ZJ201 2.2 47.8 1.0 O24 B:6ZJ201 2.2 38.8 1.0 O20 B:6ZJ201 2.2 69.0 1.0 O03 B:6ZJ201 2.3 67.1 1.0 O14 B:6ZJ201 2.3 63.5 1.0 O05 B:6ZJ201 2.3 57.8 1.0 O13 B:6ZJ201 2.7 31.8 1.0 C19 B:6ZJ201 2.9 75.5 1.0 C23 B:6ZJ201 2.9 45.8 1.0 C10 B:6ZJ201 2.9 51.8 1.0 C06 B:6ZJ201 2.9 48.9 1.0 C15 B:6ZJ201 3.0 60.5 1.0 C02 B:6ZJ201 3.1 65.8 1.0 C18 B:6ZJ201 3.3 65.5 1.0 C1 B:6ZJ201 3.5 57.0 1.0 O21 B:6ZJ201 3.6 57.0 1.0 C2 B:6ZJ201 3.6 53.0 1.0 C22 B:6ZJ201 3.6 58.5 1.0 C01 B:6ZJ201 3.6 60.6 1.0 C09 B:6ZJ201 3.7 47.4 1.0 O26 B:6ZJ201 3.7 41.8 1.0 O25 B:6ZJ201 4.1 40.6 1.0 O12 B:6ZJ201 4.2 39.2 1.0 O27 B:6ZJ201 4.3 62.1 1.0 O17 B:6ZJ201 5.0 53.1 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis H37RV Orotate Phosphoribosyltransferase in Complex with Fe(III) Dicitrate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Mycobacterium Tuberculosis H37RV Orotate Phosphoribosyltransferase in Complex with Fe(III) Dicitrate within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:88.7 occ:1.00 FE C:6ZJ201 0.0 88.7 1.0 O11 C:6ZJ201 2.2 55.7 1.0 O24 C:6ZJ201 2.2 59.0 1.0 O20 C:6ZJ201 2.2 50.1 1.0 O05 C:6ZJ201 2.2 61.4 1.0 O03 C:6ZJ201 2.2 74.3 1.0 O14 C:6ZJ201 2.2 71.8 1.0 C02 C:6ZJ201 2.8 68.2 1.0 C06 C:6ZJ201 2.8 59.1 1.0 C10 C:6ZJ201 2.8 56.5 1.0 C15 C:6ZJ201 3.0 65.1 1.0 C19 C:6ZJ201 3.0 53.7 1.0 C23 C:6ZJ201 3.0 56.6 1.0 C01 C:6ZJ201 3.0 58.8 1.0 C2 C:6ZJ201 3.2 56.3 1.0 C09 C:6ZJ201 3.4 56.6 1.0 C22 C:6ZJ201 3.5 58.8 1.0 O27 C:6ZJ201 3.6 55.0 1.0 C1 C:6ZJ201 3.6 66.2 1.0 C18 C:6ZJ201 3.7 56.9 1.0 O13 C:6ZJ201 3.8 44.7 1.0 O26 C:6ZJ201 3.8 69.2 1.0 O12 C:6ZJ201 4.0 41.2 1.0 O25 C:6ZJ201 4.1 63.1 1.0 O21 C:6ZJ201 4.3 38.9 1.0 O08 C:6ZJ201 4.7 47.4 1.0

S.Donini, D.M.Ferraris, R.Miggiano, A.Massarotti, M.Rizzi. Structural Investigations on Orotate Phosphoribosyltransferase From Mycobacterium Tuberculosis, A Key Enzyme of the De Novo Pyrimidine Biosynthesis. Sci Rep V. 7 1180 2017.
ISSN: ESSN 2045-2322
PubMed: 28446777
DOI: 10.1038/S41598-017-01057-Z