Magnesium in PDB 2c14: 5-(4-Carboxy-2-Oxo-Butylamino)-4-Oxo-Pentanoic Acid Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa

All present enzymatic activity of 5-(4-Carboxy-2-Oxo-Butylamino)-4-Oxo-Pentanoic Acid Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa:
4.2.1.24;

The structure of 5-(4-Carboxy-2-Oxo-Butylamino)-4-Oxo-Pentanoic Acid Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa, PDB code: 2c14 was solved by F.Frere, M.Nentwich, S.Gacond, D.W.Heinz, R.Neier, N.Frankenberg-Dinkel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	89.80 / 1.90
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	126.877, 126.877, 86.098, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 20.1

The binding sites of Magnesium atom in the 5-(4-Carboxy-2-Oxo-Butylamino)-4-Oxo-Pentanoic Acid Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa (pdb code 2c14). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the 5-(4-Carboxy-2-Oxo-Butylamino)-4-Oxo-Pentanoic Acid Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa, PDB code: 2c14:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the 5-(4-Carboxy-2-Oxo-Butylamino)-4-Oxo-Pentanoic Acid Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 5-(4-Carboxy-2-Oxo-Butylamino)-4-Oxo-Pentanoic Acid Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1336 b:17.9 occ:1.00 OE1 A:GLU245 2.0 12.4 1.0 O A:HOH2303 2.1 12.2 1.0 O A:HOH2246 2.2 14.0 1.0 O A:HOH2245 2.2 15.2 1.0 O A:HOH2304 2.2 11.1 1.0 O A:HOH2306 2.2 9.2 1.0 CD A:GLU245 3.1 11.4 1.0 OE2 A:GLU245 3.5 12.7 1.0 NH1 A:ARG181 3.8 13.4 1.0 OD1 A:ASP249 3.9 11.9 1.0 O A:HOH2248 4.0 11.3 1.0 O A:HOH2311 4.1 9.7 1.0 O A:HOH2309 4.2 11.9 1.0 OD2 A:ASP249 4.3 11.4 1.0 O A:MET178 4.3 12.4 1.0 CG A:GLU245 4.4 11.0 1.0 OD1 A:ASP179 4.5 10.3 1.0 CG A:ASP249 4.5 11.4 1.0 O A:SER203 4.5 12.1 1.0 CB A:GLU245 4.6 10.4 1.0 O A:GLU245 4.7 10.1 1.0 O B:HOH2037 4.7 16.3 1.0 CA A:ASP179 4.7 12.5 1.0 CA A:GLU245 4.7 10.3 1.0 SD A:MET177 4.9 12.7 1.0

Magnesium binding site 2 out of 2 in the 5-(4-Carboxy-2-Oxo-Butylamino)-4-Oxo-Pentanoic Acid Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 5-(4-Carboxy-2-Oxo-Butylamino)-4-Oxo-Pentanoic Acid Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1336 b:14.7 occ:1.00 OE1 B:GLU245 2.1 14.5 1.0 O B:HOH2308 2.1 12.4 1.0 O B:HOH2260 2.2 12.5 1.0 O B:HOH2258 2.2 10.5 1.0 O B:HOH2311 2.2 9.7 1.0 O B:HOH2310 2.2 12.7 1.0 CD B:GLU245 3.1 11.0 1.0 OE2 B:GLU245 3.4 12.6 1.0 NH1 B:ARG181 3.7 12.4 1.0 OD1 B:ASP249 3.8 12.4 1.0 O B:HOH2257 4.1 13.1 1.0 O B:HOH2313 4.1 12.3 1.0 O B:HOH2312 4.2 11.3 1.0 OD2 B:ASP249 4.3 12.2 1.0 O B:MET178 4.4 11.8 1.0 CG B:GLU245 4.4 12.4 1.0 CG B:ASP249 4.4 13.2 1.0 OD1 B:ASP179 4.5 12.0 1.0 O B:SER203 4.6 12.1 1.0 O A:HOH2037 4.7 16.4 1.0 CA B:ASP179 4.7 12.8 1.0 O B:GLU245 4.7 13.0 1.0 CB B:GLU245 4.7 11.4 1.0 SD B:MET177 4.8 12.7 1.0 CA B:GLU245 4.8 11.2 1.0 CZ B:ARG181 5.0 10.4 1.0

F.Frere, M.Nentwich, S.Gacond, D.W.Heinz, R.Neier, N.Frankenberg-Dinkel. Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors. Biochemistry V. 45 8243 2006.
ISSN: ISSN 0006-2960
PubMed: 16819823
DOI: 10.1021/BI052611F