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Chlorine in PDB 2c18: 5-(4-Carboxy-2-Oxo-Butane-1-Sulfonyl)-4-Oxo-Pentanoic Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa

Enzymatic activity of 5-(4-Carboxy-2-Oxo-Butane-1-Sulfonyl)-4-Oxo-Pentanoic Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa

All present enzymatic activity of 5-(4-Carboxy-2-Oxo-Butane-1-Sulfonyl)-4-Oxo-Pentanoic Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa:
4.2.1.24;

Protein crystallography data

The structure of 5-(4-Carboxy-2-Oxo-Butane-1-Sulfonyl)-4-Oxo-Pentanoic Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa, PDB code: 2c18 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 / 1.93
Space group P 4 21 2
Cell size a, b, c (Å), α, β, γ (°) 125.596, 125.596, 86.573, 90.00, 90.00, 90.00
R / Rfree (%) 14.9 / 18.6

Other elements in 2c18:

The structure of 5-(4-Carboxy-2-Oxo-Butane-1-Sulfonyl)-4-Oxo-Pentanoic Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa also contains other interesting chemical elements:

Magnesium (Mg) 7 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 5-(4-Carboxy-2-Oxo-Butane-1-Sulfonyl)-4-Oxo-Pentanoic Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa (pdb code 2c18). 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-(4-Carboxy-2-Oxo-Butane-1-Sulfonyl)-4-Oxo-Pentanoic Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa, PDB code: 2c18:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2c18

Go back to Chlorine Binding Sites List in 2c18
Chlorine binding site 1 out of 2 in the 5-(4-Carboxy-2-Oxo-Butane-1-Sulfonyl)-4-Oxo-Pentanoic 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-(4-Carboxy-2-Oxo-Butane-1-Sulfonyl)-4-Oxo-Pentanoic Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1340

b:18.0
occ:1.00
 O A:HOH2176 2.9 27.3 1.0
N A:MET177 3.2 15.6 1.0
NE2 A:GLN233 3.3 14.0 1.0
CG A:GLN233 3.5 15.2 1.0
NZ A:LYS205 3.6 26.0 1.0
O A:SER175 3.6 17.7 1.0
CD2 A:TYR232 3.6 16.1 1.0
CE2 A:TYR232 3.7 15.9 1.0
CB A:MET177 3.7 14.7 1.0
CG A:MET177 3.8 13.9 1.0
CA A:ASP176 3.8 16.6 1.0
CE A:LYS205 3.9 22.4 1.0
CD A:GLN233 3.9 14.8 1.0
C A:ASP176 4.0 17.0 1.0
CA A:MET177 4.1 14.8 1.0
CD A:LYS205 4.1 17.8 1.0
OD2 A:ASP139 4.3 21.3 1.0
CG A:ASP139 4.4 20.1 1.0
C A:SER175 4.5 15.9 1.0
OD1 A:ASP176 4.5 18.7 1.0
O4 A:LSO260 4.6 27.9 1.0
CB A:ASP139 4.6 19.6 1.0
MG A:MG1338 4.6 23.9 1.0
N A:ASP176 4.7 15.9 1.0
CB A:ASP176 4.8 17.2 1.0
OD1 A:ASP139 4.8 20.3 1.0
CB A:GLN233 4.9 14.2 1.0
CG A:TYR232 4.9 16.4 1.0

Chlorine binding site 2 out of 2 in 2c18

Go back to Chlorine Binding Sites List in 2c18
Chlorine binding site 2 out of 2 in the 5-(4-Carboxy-2-Oxo-Butane-1-Sulfonyl)-4-Oxo-Pentanoic 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-(4-Carboxy-2-Oxo-Butane-1-Sulfonyl)-4-Oxo-Pentanoic Acid Bound to Porphobilinogen Synthase From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1342

b:24.6
occ:1.00
 O A:HOH2191 3.1 15.6 1.0
O A:HOH2081 3.1 25.0 1.0
N A:ASN150 3.1 13.6 1.0
CE2 A:TYR147 3.6 26.5 1.0
CB A:ASN150 3.6 12.7 1.0
CA A:ASN150 4.0 13.6 1.0
CA A:LEU149 4.0 15.6 1.0
C A:LEU149 4.1 15.4 1.0
O A:VAL148 4.2 17.5 1.0
CD2 A:TYR147 4.4 26.4 1.0
OH A:TYR147 4.4 27.8 1.0
CZ A:TYR147 4.5 27.6 1.0
CD2 A:LEU149 4.6 17.2 1.0
NH1 B:ARG16 4.6 12.4 1.0
O A:HOH2193 4.7 21.1 1.0
O A:HOH2216 4.8 11.0 1.0
CB A:LEU149 4.9 15.9 1.0
N A:ASP151 4.9 13.4 1.0

Reference:

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
Page generated: Sat Jul 20 06:04:03 2024

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