Zinc in PDB 4lcg: Crystal Structure of the Pseudomonas Aeruginosa Lpxc/Lpc-050 Complex

The structure of Crystal Structure of the Pseudomonas Aeruginosa Lpxc/Lpc-050 Complex, PDB code: 4lcg 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)	28.27 / 1.57
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.530, 73.620, 88.290, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 20.6

The binding sites of Zinc atom in the Crystal Structure of the Pseudomonas Aeruginosa Lpxc/Lpc-050 Complex (pdb code 4lcg). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the Pseudomonas Aeruginosa Lpxc/Lpc-050 Complex, PDB code: 4lcg:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Pseudomonas Aeruginosa Lpxc/Lpc-050 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-050 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:13.4 occ:1.00 OD1 A:ASP241 2.0 11.8 1.0 NE2 A:HIS237 2.1 10.6 1.0 O04 A:1WM303 2.1 12.2 1.0 NE2 A:HIS78 2.1 10.2 1.0 O01 A:1WM303 2.2 12.4 1.0 OD2 A:ASP241 2.4 21.5 1.0 CG A:ASP241 2.6 16.6 1.0 C03 A:1WM303 2.8 11.6 1.0 N02 A:1WM303 2.9 11.6 1.0 CE1 A:HIS237 3.0 11.5 1.0 CD2 A:HIS78 3.0 11.5 1.0 CD2 A:HIS237 3.1 11.2 1.0 CE1 A:HIS78 3.1 13.0 1.0 OG1 A:THR190 3.9 14.6 1.0 O A:HOH776 4.0 27.5 1.0 CB A:ASP241 4.1 10.9 1.0 ND1 A:HIS237 4.1 10.7 1.0 CG A:HIS237 4.2 10.2 1.0 ND1 A:HIS78 4.2 12.5 1.0 CG A:HIS78 4.2 12.6 1.0 CB A:THR190 4.2 13.3 1.0 CG A:GLU77 4.2 12.0 1.0 C05 A:1WM303 4.2 13.6 1.0 OE2 A:GLU77 4.4 13.8 1.0 O27 A:1WM303 4.4 14.5 1.0 C26 A:1WM303 4.6 16.4 1.0 CE1 A:HIS264 4.8 13.1 1.0 CA A:ASP241 4.8 9.7 1.0 CD A:GLU77 4.8 12.2 1.0 O A:HIS237 4.8 11.0 1.0 CA A:THR190 4.9 13.0 1.0 NE2 A:HIS264 4.9 16.1 1.0 N06 A:1WM303 4.9 15.0 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Pseudomonas Aeruginosa Lpxc/Lpc-050 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-050 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:27.0 occ:1.00 ND1 A:HIS162 2.0 29.3 1.0 OE2 A:GLU219 2.1 35.2 1.0 OE1 A:GLU219 2.1 30.8 1.0 CD A:GLU219 2.4 23.8 1.0 CE1 A:HIS162 2.9 26.2 1.0 CG A:HIS162 3.1 23.6 1.0 CB A:HIS162 3.6 19.5 1.0 CA A:HIS162 3.8 18.5 1.0 CG A:GLU219 3.9 27.2 1.0 NE2 A:HIS162 4.1 32.3 1.0 CD2 A:HIS162 4.2 31.7 1.0 N A:HIS162 4.4 17.7 1.0 CD A:PRO163 4.4 17.8 1.0 CB A:GLU219 4.8 24.4 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