Zinc in PDB 4lch: Crystal Structure of the Pseudomonas Aeruginosa Lpxc/Lpc-051 Complex

The structure of Crystal Structure of the Pseudomonas Aeruginosa Lpxc/Lpc-051 Complex, PDB code: 4lch was solved by C.-J.Lee, P.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.86 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.197, 73.527, 88.037, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 21.5

The binding sites of Zinc atom in the Crystal Structure of the Pseudomonas Aeruginosa Lpxc/Lpc-051 Complex (pdb code 4lch). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of the Pseudomonas Aeruginosa Lpxc/Lpc-051 Complex, PDB code: 4lch:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Crystal Structure of the Pseudomonas Aeruginosa Lpxc/Lpc-051 Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Pseudomonas Aeruginosa Lpxc/Lpc-051 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:16.8 occ:1.00 OD1 A:ASP241 2.0 15.5 1.0 NE2 A:HIS78 2.1 13.8 1.0 NE2 A:HIS237 2.1 14.8 1.0 O04 A:1WN304 2.2 19.9 1.0 O01 A:1WN304 2.3 18.8 1.0 OD2 A:ASP241 2.5 18.4 1.0 CG A:ASP241 2.6 17.1 1.0 C03 A:1WN304 2.8 18.6 1.0 N02 A:1WN304 2.9 20.5 1.0 CE1 A:HIS237 3.0 14.9 1.0 CD2 A:HIS78 3.0 14.5 1.0 CE1 A:HIS78 3.1 19.0 1.0 CD2 A:HIS237 3.1 14.2 1.0 OG1 A:THR190 4.1 17.9 1.0 CB A:ASP241 4.1 15.6 1.0 O A:HOH585 4.1 37.7 1.0 ND1 A:HIS237 4.1 13.3 1.0 CG A:GLU77 4.2 19.8 1.0 ND1 A:HIS78 4.2 15.5 1.0 CG A:HIS78 4.2 16.1 1.0 CG A:HIS237 4.2 13.9 1.0 OE2 A:GLU77 4.2 18.7 1.0 C05 A:1WN304 4.3 21.9 1.0 CB A:THR190 4.4 17.9 1.0 NE2 A:HIS264 4.4 19.1 1.0 C28 A:1WN304 4.5 28.9 1.0 O27 A:1WN304 4.6 31.8 1.0 CA A:ASP241 4.7 14.0 1.0 CD A:GLU77 4.7 18.2 1.0 C26 A:1WN304 4.8 27.8 1.0 CE1 A:HIS264 4.9 20.9 1.0 CA A:THR190 4.9 15.3 1.0 O A:HIS237 4.9 15.4 1.0 N06 A:1WN304 4.9 26.1 1.0

Zinc binding site 2 out of 3 in the Crystal Structure of the Pseudomonas Aeruginosa Lpxc/Lpc-051 Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Pseudomonas Aeruginosa Lpxc/Lpc-051 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:30.5 occ:1.00 OE1 A:GLU219 1.8 35.8 1.0 ND1 A:HIS162 2.0 33.2 1.0 CD A:GLU219 2.5 39.6 1.0 OE2 A:GLU219 2.8 35.4 1.0 CE1 A:HIS162 2.9 31.4 1.0 CG A:HIS162 3.1 26.3 1.0 CB A:HIS162 3.6 21.4 1.0 CA A:HIS162 3.7 20.9 1.0 CG A:GLU219 3.8 43.3 1.0 NE2 A:HIS162 4.0 32.5 1.0 CD2 A:HIS162 4.2 31.8 1.0 N A:HIS162 4.3 19.5 1.0 CD A:PRO163 4.4 21.6 1.0 O A:HOH541 4.8 35.8 1.0 CB A:GLU219 4.9 31.2 1.0 C A:ASP161 5.0 20.1 1.0 C A:HIS162 5.0 20.3 1.0

Zinc binding site 3 out of 3 in the Crystal Structure of the Pseudomonas Aeruginosa Lpxc/Lpc-051 Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of the Pseudomonas Aeruginosa Lpxc/Lpc-051 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn303 b:69.0 occ:1.00 NE A:ARG272 3.3 32.2 1.0 NH1 A:ARG272 3.5 29.0 1.0 CG A:GLN269 3.8 18.7 1.0 CZ A:ARG272 3.9 28.3 1.0 CB A:ARG272 4.0 19.3 1.0 CA A:GLN269 4.1 17.4 1.0 O A:GLN269 4.2 17.9 1.0 CD A:ARG272 4.3 25.9 1.0 O A:HOH711 4.4 45.1 1.0 OG1 A:THR273 4.4 18.7 1.0 CB A:GLN269 4.4 19.0 1.0 O A:HOH658 4.5 39.5 1.0 C A:GLN269 4.7 17.7 1.0 CG A:ARG272 4.7 19.7 1.0 O A:HOH439 4.8 23.2 1.0 CD A:GLN269 4.8 24.1 1.0

X.Liang, C.J.Lee, J.Zhao, E.J.Toone, P.Zhou. Synthesis, Structure, and Antibiotic Activity of Aryl-Substituted Lpxc Inhibitors. J.Med.Chem. V. 56 6954 2013.
ISSN: ISSN 0022-2623
PubMed: 23914798
DOI: 10.1021/JM4007774