Chlorine in PDB 2c13: 5-Hydroxy-Levulinic Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa

All present enzymatic activity of 5-Hydroxy-Levulinic Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa:
4.2.1.24;

The structure of 5-Hydroxy-Levulinic Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa, PDB code: 2c13 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 / 2.15
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	126.314, 126.314, 85.481, 90.00, 90.00, 90.00
R / Rfree (%)	15.2 / 20.4

The structure of 5-Hydroxy-Levulinic Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Potassium	(K)	2 atoms

The binding sites of Chlorine atom in the 5-Hydroxy-Levulinic Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa (pdb code 2c13). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 5-Hydroxy-Levulinic Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa, PDB code: 2c13:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the 5-Hydroxy-Levulinic Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 5-Hydroxy-Levulinic Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1337 b:23.7 occ:1.00 N A:ASN196 3.1 17.0 1.0 O A:HOH2151 3.2 30.8 1.0 O A:HOH2153 3.5 25.1 1.0 N A:THR195 3.5 17.2 1.0 C A:HIS194 3.6 17.8 1.0 CA A:HIS194 3.7 18.1 1.0 CA A:ASN196 3.7 16.8 1.0 CB A:ASN196 3.7 17.7 1.0 N A:VAL197 3.7 14.2 1.0 CG2 A:VAL197 4.0 12.2 1.0 C A:ASN196 4.0 16.1 1.0 C A:THR195 4.2 17.5 1.0 O A:HIS194 4.2 17.1 1.0 CB A:HIS194 4.3 18.7 1.0 CA A:THR195 4.3 18.7 1.0 O A:GLY193 4.3 20.3 1.0 CA A:VAL197 4.7 13.6 1.0 ND2 A:ASN196 4.7 19.7 1.0 CG A:ASN196 4.7 20.3 1.0 ND1 A:HIS194 4.8 21.6 1.0 CB A:THR195 4.8 17.8 1.0 CB A:VAL197 4.8 13.8 1.0 N A:HIS194 4.9 18.9 1.0 O A:ASN196 4.9 16.8 1.0 O A:HOH2142 4.9 9.2 0.5

Chlorine binding site 2 out of 2 in the 5-Hydroxy-Levulinic Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 5-Hydroxy-Levulinic Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1337 b:23.9 occ:1.00 O B:HOH2156 3.0 27.4 1.0 N B:ASN196 3.2 15.1 1.0 O B:HOH2160 3.4 23.4 1.0 N B:THR195 3.6 17.5 0.5 N B:THR195 3.7 17.0 0.5 C B:HIS194 3.7 17.9 1.0 CA B:ASN196 3.7 14.7 1.0 N B:VAL197 3.7 14.1 0.5 N B:VAL197 3.8 13.4 0.5 CB B:ASN196 3.8 15.2 1.0 CA B:HIS194 3.8 18.3 1.0 C B:ASN196 4.0 14.1 1.0 CG2 B:VAL197 4.1 9.5 0.5 O B:HOH2158 4.2 27.1 1.0 C B:THR195 4.2 15.5 0.5 C B:THR195 4.2 16.1 0.5 CG1 B:VAL197 4.3 14.4 0.5 O B:HIS194 4.3 18.6 1.0 O B:GLY193 4.4 18.9 1.0 CB B:HIS194 4.5 18.3 1.0 CA B:THR195 4.5 16.0 0.5 CA B:THR195 4.5 17.0 0.5 OG1 B:THR195 4.5 15.0 0.5 ND2 B:ASN196 4.7 18.0 1.0 CG B:ASN196 4.7 16.9 1.0 CA B:VAL197 4.8 12.3 0.5 O B:HOH2140 4.8 27.9 1.0 CA B:VAL197 4.8 13.7 0.5 ND1 B:HIS194 4.9 20.5 1.0 CB B:VAL197 4.9 14.1 0.5 CB B:VAL197 4.9 11.9 0.5 O B:ASN196 5.0 13.7 1.0 N B:HIS194 5.0 17.9 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