Manganese in PDB 2q95: E. Coli Methionine Aminopeptidase Mn-Form with Inhibitor A05

All present enzymatic activity of E. Coli Methionine Aminopeptidase Mn-Form with Inhibitor A05:
3.4.11.18;

The structure of E. Coli Methionine Aminopeptidase Mn-Form with Inhibitor A05, PDB code: 2q95 was solved by Q.-Z.Ye, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.847, 62.373, 52.422, 90.00, 108.39, 90.00
R / Rfree (%)	21.4 / 23.9

The structure of E. Coli Methionine Aminopeptidase Mn-Form with Inhibitor A05 also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Sodium	(Na)	1 atom

The binding sites of Manganese atom in the E. Coli Methionine Aminopeptidase Mn-Form with Inhibitor A05 (pdb code 2q95). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the E. Coli Methionine Aminopeptidase Mn-Form with Inhibitor A05, PDB code: 2q95:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the E. Coli Methionine Aminopeptidase Mn-Form with Inhibitor A05


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of E. Coli Methionine Aminopeptidase Mn-Form with Inhibitor A05 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:13.3 occ:1.00 OAN A:A05400 2.1 13.7 1.0 OD1 A:ASP108 2.2 11.3 1.0 OE1 A:GLU235 2.2 10.4 1.0 OD1 A:ASP97 2.2 13.3 1.0 O A:HOH505 2.3 12.6 1.0 OD2 A:ASP97 2.4 11.0 1.0 CG A:ASP97 2.6 9.6 1.0 CG A:ASP108 3.1 11.9 1.0 CD A:GLU235 3.1 9.7 1.0 CAB A:A05400 3.2 14.3 1.0 OD2 A:ASP108 3.4 12.2 1.0 OE2 A:GLU235 3.5 12.7 1.0 MN A:MN302 3.5 13.3 1.0 CAD A:A05400 3.8 15.6 1.0 OG1 A:THR99 3.8 12.8 1.0 O A:HOH512 3.8 12.0 1.0 CAA A:A05400 3.9 14.8 1.0 CB A:ASP97 4.1 11.4 1.0 OAO A:A05400 4.2 15.2 1.0 O A:HOH534 4.3 16.7 1.0 O A:VAL98 4.3 12.1 1.0 OE1 A:GLU204 4.3 17.2 1.0 N A:THR109 4.4 11.4 1.0 CG A:GLU235 4.4 10.2 1.0 CB A:ASP108 4.5 12.3 1.0 O A:HOH553 4.6 13.8 1.0 O A:THR109 4.7 10.5 1.0 N A:VAL98 4.7 11.4 1.0 C A:ASP108 4.8 12.4 1.0 C A:THR109 4.8 11.5 1.0 O A:HOH520 4.8 18.5 1.0 C A:VAL98 4.8 12.6 1.0 CA A:ASP108 4.9 12.4 1.0 CA A:ASP97 4.9 11.6 1.0 C A:ASP97 4.9 11.7 1.0 CB A:GLU235 4.9 9.4 1.0 CA A:THR109 5.0 10.0 1.0 CD A:GLU204 5.0 16.0 1.0

Manganese binding site 2 out of 2 in the E. Coli Methionine Aminopeptidase Mn-Form with Inhibitor A05


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of E. Coli Methionine Aminopeptidase Mn-Form with Inhibitor A05 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:13.3 occ:1.00 OE2 A:GLU235 2.2 12.7 1.0 OE2 A:GLU204 2.2 12.9 1.0 OD2 A:ASP108 2.2 12.2 1.0 NE2 A:HIS171 2.3 10.4 1.0 OAN A:A05400 2.3 13.7 1.0 OAO A:A05400 2.4 15.2 1.0 CAB A:A05400 2.7 14.3 1.0 CD A:GLU204 2.9 16.0 1.0 OE1 A:GLU204 3.1 17.2 1.0 CD2 A:HIS171 3.1 10.3 1.0 CG A:ASP108 3.2 11.9 1.0 CD A:GLU235 3.2 9.7 1.0 CE1 A:HIS171 3.3 10.1 1.0 OE1 A:GLU235 3.5 10.4 1.0 MN A:MN301 3.5 13.3 1.0 OD1 A:ASP108 3.6 11.3 1.0 OG1 A:THR202 3.8 9.6 1.0 CG2 A:THR202 4.1 9.8 1.0 CAA A:A05400 4.2 14.8 1.0 CB A:THR202 4.3 9.8 1.0 CB A:ASP108 4.3 12.3 1.0 CG A:HIS171 4.3 9.2 1.0 CG A:GLU204 4.3 15.0 1.0 ND1 A:HIS171 4.4 9.2 1.0 O A:HOH695 4.5 32.3 1.0 CG A:GLU235 4.5 10.2 1.0 CE1 A:PHE177 4.6 14.0 1.0 O A:HOH520 4.6 18.5 1.0 NE2 A:HIS178 4.7 15.0 1.0 O A:HOH505 4.8 12.6 1.0 CD2 A:HIS178 5.0 14.7 1.0

Z.Q.Ma, S.X.Xie, Q.Q.Huang, F.J.Nan, T.D.Hurley, Q.Z.Ye. Structural Analysis of Inhibition of E. Coli Methionine Aminopeptidase: Implication of Loop Flexibility in Selective Inhibition of Bacterial Enzymes. Bmc Struct.Biol. V. 7 84 2007.
ISSN: ESSN 1472-6807
PubMed: 18093325
DOI: 10.1186/1472-6807-7-84