Manganese in PDB 2q94: E. Coli Methionine Aminopeptidase Mn-Form with Inhibitor A04

All present enzymatic activity of E. Coli Methionine Aminopeptidase Mn-Form with Inhibitor A04:
3.4.11.18;

The structure of E. Coli Methionine Aminopeptidase Mn-Form with Inhibitor A04, PDB code: 2q94 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)	19.91 / 1.63
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.199, 60.605, 50.624, 90.00, 104.80, 90.00
R / Rfree (%)	21.3 / 23.8

The structure of E. Coli Methionine Aminopeptidase Mn-Form with Inhibitor A04 also contains other interesting chemical elements:

Fluorine	(F)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Manganese atom in the E. Coli Methionine Aminopeptidase Mn-Form with Inhibitor A04 (pdb code 2q94). 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 A04, PDB code: 2q94:
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 A04


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 A04 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:11.6 occ:1.00 OAQ A:A04400 2.1 13.7 1.0 OD1 A:ASP108 2.2 10.2 1.0 OD1 A:ASP97 2.2 12.2 1.0 OE1 A:GLU235 2.2 9.8 1.0 O A:HOH508 2.2 12.9 1.0 OD2 A:ASP97 2.4 11.2 1.0 CG A:ASP97 2.6 11.2 1.0 CG A:ASP108 3.1 11.3 1.0 CD A:GLU235 3.1 7.6 1.0 CAB A:A04400 3.2 14.0 1.0 OD2 A:ASP108 3.3 11.2 1.0 OE2 A:GLU235 3.3 8.7 1.0 MN A:MN302 3.5 12.2 1.0 O A:HOH503 3.8 10.9 1.0 OG1 A:THR99 3.9 14.5 1.0 CAA A:A04400 4.0 16.9 1.0 CAD A:A04400 4.0 17.3 1.0 CB A:ASP97 4.1 9.7 1.0 OAR A:A04400 4.1 11.6 1.0 O A:VAL98 4.2 11.5 1.0 OE1 A:GLU204 4.3 19.9 1.0 N A:THR109 4.4 10.4 1.0 O A:HOH509 4.4 12.7 1.0 CG A:GLU235 4.5 9.1 1.0 CB A:ASP108 4.5 11.8 1.0 O A:THR109 4.6 9.9 1.0 O A:HOH514 4.6 14.4 1.0 C A:ASP108 4.7 10.9 1.0 C A:THR109 4.7 10.0 1.0 O A:HOH518 4.8 18.9 1.0 N A:VAL98 4.8 11.1 1.0 CA A:ASP108 4.9 11.4 1.0 CA A:ASP97 4.9 9.6 1.0 CA A:THR109 4.9 11.1 1.0 C A:VAL98 4.9 11.2 1.0 CB A:GLU235 4.9 8.8 1.0 C A:ASP97 4.9 10.8 1.0

Manganese binding site 2 out of 2 in the E. Coli Methionine Aminopeptidase Mn-Form with Inhibitor A04


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 A04 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:12.2 occ:1.00 OE2 A:GLU235 2.1 8.7 1.0 OD2 A:ASP108 2.2 11.2 1.0 OE2 A:GLU204 2.3 12.7 1.0 NE2 A:HIS171 2.3 12.6 1.0 OAR A:A04400 2.3 11.6 1.0 OAQ A:A04400 2.4 13.7 1.0 CAB A:A04400 2.6 14.0 1.0 CD A:GLU204 2.9 16.6 1.0 OE1 A:GLU204 3.0 19.9 1.0 CD A:GLU235 3.2 7.6 1.0 CD2 A:HIS171 3.2 14.0 1.0 CG A:ASP108 3.2 11.3 1.0 CE1 A:HIS171 3.3 14.5 1.0 MN A:MN301 3.5 11.6 1.0 OE1 A:GLU235 3.5 9.8 1.0 OD1 A:ASP108 3.7 10.2 1.0 OG1 A:THR202 3.8 14.1 1.0 CAA A:A04400 4.2 16.9 1.0 CG2 A:THR202 4.2 14.2 1.0 CB A:THR202 4.3 12.5 1.0 CG A:GLU204 4.3 12.9 1.0 CG A:HIS171 4.3 11.1 1.0 CB A:ASP108 4.4 11.8 1.0 ND1 A:HIS171 4.4 11.4 1.0 CG A:GLU235 4.5 9.1 1.0 NE2 A:HIS178 4.5 16.7 1.0 CE1 A:PHE177 4.6 14.3 1.0 O A:HOH508 4.7 12.9 1.0 O A:HOH518 4.8 18.9 1.0 CD2 A:HIS178 4.9 18.1 1.0 OAP A:A04400 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