Chlorine in PDB 6c9c: Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Racemic Ligand PT803

All present enzymatic activity of Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Racemic Ligand PT803:
3.5.1.108;

The structure of Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Racemic Ligand PT803, PDB code: 6c9c was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.64 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	35.660, 79.340, 50.920, 90.00, 92.01, 90.00
R / Rfree (%)	16.2 / 21.3

The structure of Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Racemic Ligand PT803 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Racemic Ligand PT803 (pdb code 6c9c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Racemic Ligand PT803, PDB code: 6c9c:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Racemic Ligand PT803


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Racemic Ligand PT803 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:33.4 occ:0.51 CL1 A:EU1401 0.0 33.4 0.5 CL A:F64402 0.1 33.7 0.5 C35 A:F64402 1.8 30.8 0.5 C35 A:EU1401 1.8 30.9 0.5 C34 A:F64402 2.7 27.9 0.5 C03 A:F64402 2.8 30.8 0.5 C03 A:EU1401 2.8 30.7 0.5 C34 A:EU1401 2.8 27.8 0.5 O02 A:EU1401 3.0 34.7 0.5 O02 A:F64402 3.1 34.7 0.5 NH1 A:ARG201 3.5 20.8 1.0 C06 A:F64402 4.0 28.8 0.5 N04 A:F64402 4.1 29.2 0.5 N04 A:EU1401 4.1 29.3 0.5 C06 A:EU1401 4.1 28.4 0.5 CZ A:ARG201 4.3 22.2 1.0 CG1 A:ILE197 4.4 15.4 1.0 CG2 A:ILE197 4.4 16.6 1.0 C01 A:EU1401 4.4 35.0 0.5 C01 A:F64402 4.5 35.0 0.5 CG A:ARG201 4.6 20.8 1.0 C05 A:F64402 4.6 30.5 0.5 C05 A:EU1401 4.6 30.2 0.5 O A:HOH563 4.8 39.7 1.0 NH2 A:ARG201 4.8 18.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Racemic Ligand PT803


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Racemic Ligand PT803 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:33.7 occ:0.49 CL A:F64402 0.0 33.7 0.5 CL1 A:EU1401 0.1 33.4 0.5 C35 A:F64402 1.8 30.8 0.5 C35 A:EU1401 1.9 30.9 0.5 C03 A:F64402 2.8 30.8 0.5 C34 A:F64402 2.8 27.9 0.5 C03 A:EU1401 2.8 30.7 0.5 C34 A:EU1401 2.9 27.8 0.5 O02 A:EU1401 3.0 34.7 0.5 O02 A:F64402 3.0 34.7 0.5 NH1 A:ARG201 3.6 20.8 1.0 C06 A:F64402 4.1 28.8 0.5 N04 A:F64402 4.1 29.2 0.5 N04 A:EU1401 4.1 29.3 0.5 C06 A:EU1401 4.2 28.4 0.5 CZ A:ARG201 4.4 22.2 1.0 CG2 A:ILE197 4.4 16.6 1.0 C01 A:EU1401 4.4 35.0 0.5 CG1 A:ILE197 4.4 15.4 1.0 C01 A:F64402 4.5 35.0 0.5 CG A:ARG201 4.6 20.8 1.0 C05 A:F64402 4.6 30.5 0.5 C05 A:EU1401 4.7 30.2 0.5 O A:HOH563 4.8 39.7 1.0 NH2 A:ARG201 4.9 18.0 1.0

S.L.Delker, S.J.Mayclin, J.N.Phan, J.Abendroth, D.Lorimer, T.E.Edwards. Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Ligand PT803 To Be Published.