Manganese in PDB 4z7m: Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity

All present enzymatic activity of Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity:
3.4.11.18;

The structure of Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity, PDB code: 4z7m was solved by J.A.Rose, S.D.Lahiri, D.C.Mckinney, R.Albert, M.Morningstar, A.B.Shapiro, S.F.Fisher, P.R.Fleming, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.57 / 1.43
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.985, 62.712, 72.978, 90.00, 89.59, 90.00
R / Rfree (%)	25.1 / 30.6

The structure of Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity also contains other interesting chemical elements:

Fluorine

(F)

4 atoms

The binding sites of Manganese atom in the Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity (pdb code 4z7m). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity, PDB code: 4z7m:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:28.5 occ:1.00 O A:HOH408 2.0 24.2 1.0 OE1 A:GLU204 2.1 22.2 1.0 OD2 A:ASP108 2.1 24.0 1.0 OE2 A:GLU235 2.3 25.5 1.0 NE2 A:HIS171 2.4 28.0 1.0 OE1 A:GLU235 3.0 24.0 1.0 CD A:GLU235 3.0 27.6 1.0 CD A:GLU204 3.1 25.2 1.0 CG A:ASP108 3.1 22.1 1.0 CE1 A:HIS171 3.3 26.6 1.0 CD2 A:HIS171 3.3 24.1 1.0 OE2 A:GLU204 3.4 23.4 1.0 O26 A:4L9302 3.5 33.4 1.0 OD1 A:ASP108 3.8 26.4 1.0 OG1 A:THR202 3.8 31.5 1.0 C25 A:4L9302 4.0 29.8 1.0 CB A:ASP108 4.1 21.8 1.0 CG2 A:THR202 4.3 26.5 1.0 ND1 A:HIS171 4.4 23.5 1.0 CB A:THR202 4.4 28.3 1.0 CG A:GLU204 4.4 23.8 1.0 CG A:GLU235 4.4 26.0 1.0 CG A:HIS171 4.4 23.5 1.0 N24 A:4L9302 4.5 27.8 1.0 OD2 A:ASP97 4.5 38.9 1.0 C2 A:4L9302 4.6 28.8 1.0 C27 A:4L9302 4.6 28.1 1.0 O A:HOH402 4.7 26.0 1.0 CE1 A:PHE177 4.8 30.3 1.0 OD1 A:ASP97 4.9 28.5 1.0 CB A:GLU204 4.9 24.8 1.0

Manganese binding site 2 out of 2 in the Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad- Spectrum Biochemical Activity within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:25.3 occ:1.00 O B:HOH403 1.9 20.0 1.0 OD2 B:ASP108 2.1 23.2 1.0 OE1 B:GLU204 2.1 17.0 1.0 OE2 B:GLU235 2.3 25.8 1.0 NE2 B:HIS171 2.4 30.5 1.0 CD B:GLU235 3.0 25.6 1.0 OE1 B:GLU235 3.0 24.7 1.0 CD B:GLU204 3.0 24.6 1.0 CG B:ASP108 3.1 24.2 1.0 CE1 B:HIS171 3.2 26.1 1.0 OE2 B:GLU204 3.3 20.6 1.0 CD2 B:HIS171 3.4 27.7 1.0 O26 B:4L9302 3.5 28.0 1.0 OD1 B:ASP108 3.9 27.2 1.0 OG1 B:THR202 4.0 32.2 1.0 C25 B:4L9302 4.0 25.8 1.0 CB B:ASP108 4.0 23.3 1.0 CG2 B:THR202 4.2 27.1 1.0 ND1 B:HIS171 4.3 26.0 1.0 CB B:THR202 4.4 27.0 1.0 CG B:GLU204 4.4 22.7 1.0 CG B:HIS171 4.4 25.9 1.0 CG B:GLU235 4.4 23.4 1.0 N24 B:4L9302 4.5 23.3 1.0 C2 B:4L9302 4.6 26.3 1.0 OD2 B:ASP97 4.6 38.0 1.0 C27 B:4L9302 4.7 25.1 1.0 CE1 B:PHE177 4.8 26.4 1.0 O B:HOH405 4.8 23.8 1.0 OD1 B:ASP97 4.9 32.6 1.0 CB B:GLU204 4.9 25.2 1.0

J.A.Rose, S.D.Lahiri, D.C.Mckinney, R.Albert, M.Morningstar, A.B.Shapiro, S.F.Fisher, P.R.Fleming. Novel Inhibitors of Bacterial Methionine Aminopeptidase with Broad-Spectrum Biochemical Activity To Be Published.