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Chlorine in PDB 5dwz: Structural and Functional Characterization of Pqsbc, A Condensing Enzyme in the Biosynthesis of the Pseudomonas Aeruginosa Quinolone Signal

Enzymatic activity of Structural and Functional Characterization of Pqsbc, A Condensing Enzyme in the Biosynthesis of the Pseudomonas Aeruginosa Quinolone Signal

All present enzymatic activity of Structural and Functional Characterization of Pqsbc, A Condensing Enzyme in the Biosynthesis of the Pseudomonas Aeruginosa Quinolone Signal:
2.3.1.180;

Protein crystallography data

The structure of Structural and Functional Characterization of Pqsbc, A Condensing Enzyme in the Biosynthesis of the Pseudomonas Aeruginosa Quinolone Signal, PDB code: 5dwz was solved by S.L.Drees, C.Li, F.Prasetya, M.Saleem, I.Dreveny, U.Hennecke, P.Williams, J.Emsley, S.Fetzner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 144.84 / 2.04
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 78.486, 114.960, 289.675, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 23.7

Other elements in 5dwz:

The structure of Structural and Functional Characterization of Pqsbc, A Condensing Enzyme in the Biosynthesis of the Pseudomonas Aeruginosa Quinolone Signal also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structural and Functional Characterization of Pqsbc, A Condensing Enzyme in the Biosynthesis of the Pseudomonas Aeruginosa Quinolone Signal (pdb code 5dwz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structural and Functional Characterization of Pqsbc, A Condensing Enzyme in the Biosynthesis of the Pseudomonas Aeruginosa Quinolone Signal, PDB code: 5dwz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5dwz

Go back to Chlorine Binding Sites List in 5dwz
Chlorine binding site 1 out of 2 in the Structural and Functional Characterization of Pqsbc, A Condensing Enzyme in the Biosynthesis of the Pseudomonas Aeruginosa Quinolone Signal


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural and Functional Characterization of Pqsbc, A Condensing Enzyme in the Biosynthesis of the Pseudomonas Aeruginosa Quinolone Signal within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl409

b:46.6
occ:1.00
 ND2 C:ASN109 3.0 44.9 1.0
O B:HOH612 3.1 39.2 1.0
CB C:ASN109 3.2 37.1 1.0
CA C:ASN109 3.2 31.1 1.0
NH2 B:ARG162 3.3 24.9 1.0
CG C:ASN109 3.5 45.0 1.0
O C:ASN109 3.6 28.4 1.0
O B:HOH615 3.7 29.0 1.0
C C:ASN109 3.7 29.8 1.0
CG C:PRO122 3.9 22.0 1.0
CA B:GLY267 4.1 23.1 1.0
NZ C:LYS113 4.1 53.8 1.0
OG C:SER112 4.3 35.3 1.0
N C:ASN109 4.5 26.2 1.0
CZ B:ARG162 4.6 24.1 1.0
CE C:LYS113 4.6 49.9 1.0
CB C:PRO122 4.6 22.0 1.0
OD1 C:ASN109 4.7 43.7 1.0
O B:GLY267 4.8 20.5 1.0
N C:VAL110 4.9 24.9 1.0
CG C:LYS113 5.0 34.6 1.0
C B:GLY267 5.0 23.3 1.0
O C:HOH642 5.0 36.5 1.0
CD C:PRO122 5.0 20.2 1.0

Chlorine binding site 2 out of 2 in 5dwz

Go back to Chlorine Binding Sites List in 5dwz
Chlorine binding site 2 out of 2 in the Structural and Functional Characterization of Pqsbc, A Condensing Enzyme in the Biosynthesis of the Pseudomonas Aeruginosa Quinolone Signal


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural and Functional Characterization of Pqsbc, A Condensing Enzyme in the Biosynthesis of the Pseudomonas Aeruginosa Quinolone Signal within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl409

b:47.7
occ:0.80
 CB D:ASN109 3.1 48.7 1.0
CA D:ASN109 3.2 39.4 1.0
O D:HOH516 3.3 61.7 1.0
O D:ASN109 3.3 41.4 1.0
ND2 D:ASN109 3.4 59.1 1.0
C D:ASN109 3.5 39.4 1.0
NZ D:LYS113 3.6 49.6 1.0
CG D:ASN109 3.7 58.1 1.0
NH2 A:ARG162 3.9 29.4 1.0
O D:HOH515 4.0 25.8 1.0
CE D:LYS113 4.2 49.6 1.0
OG D:SER112 4.2 34.1 1.0
CA A:GLY267 4.3 27.9 1.0
CG D:PRO122 4.3 27.2 1.0
CD D:LYS113 4.5 45.3 1.0
CG D:LYS113 4.5 37.5 1.0
N D:ASN109 4.6 31.4 1.0
N D:VAL110 4.6 32.4 1.0
OD1 D:ASN109 4.8 52.9 1.0
CB D:PRO122 5.0 26.7 1.0

Reference:

S.L.Drees, C.Li, F.Prasetya, M.Saleem, I.Dreveny, P.Williams, U.Hennecke, J.Emsley, S.Fetzner. Pqsbc, A Condensing Enzyme in the Biosynthesis of the Pseudomonas Aeruginosa Quinolone Signal: Crystal Structure, Inhibition, and Reaction Mechanism. J.Biol.Chem. V. 291 6610 2016.
ISSN: ESSN 1083-351X
PubMed: 26811339
DOI: 10.1074/JBC.M115.708453
Page generated: Sat Dec 12 11:39:55 2020

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