Zinc in PDB 4lcf: Crystal Structure of the Pseudomonas Aeruginosa Lpxc/Lpc-014 Complex

The structure of Crystal Structure of the Pseudomonas Aeruginosa Lpxc/Lpc-014 Complex, PDB code: 4lcf 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)	24.29 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.193, 73.819, 88.177, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 22

The binding sites of Zinc atom in the Crystal Structure of the Pseudomonas Aeruginosa Lpxc/Lpc-014 Complex (pdb code 4lcf). 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-014 Complex, PDB code: 4lcf:
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-014 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-014 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:26.9 occ:1.00 ND1 A:HIS162 2.0 30.1 1.0 OE1 A:GLU219 2.1 36.0 1.0 OE2 A:GLU219 2.1 35.4 1.0 CD A:GLU219 2.4 28.2 1.0 CE1 A:HIS162 2.8 27.6 1.0 CG A:HIS162 3.2 25.5 1.0 CB A:HIS162 3.7 20.6 1.0 CA A:HIS162 3.8 19.0 1.0 CG A:GLU219 3.9 27.8 1.0 NE2 A:HIS162 4.0 29.4 1.0 CD2 A:HIS162 4.2 29.0 1.0 N A:HIS162 4.4 19.6 1.0 CD A:PRO163 4.4 19.7 1.0 CZ A:PHE193 4.6 22.0 0.5 CB A:GLU219 4.8 25.9 1.0

Zinc binding site 2 out of 3 in the Crystal Structure of the Pseudomonas Aeruginosa Lpxc/Lpc-014 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-014 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:71.8 occ:1.00 O A:HOH502 3.6 36.0 1.0 CB A:ARG272 3.8 17.5 1.0 CD A:ARG272 3.9 19.3 1.0 CG A:GLN269 3.9 15.7 1.0 O A:HOH654 4.0 35.9 1.0 O A:HOH546 4.1 37.1 1.0 O A:HOH686 4.1 42.2 1.0 O A:GLN269 4.2 17.4 1.0 CA A:GLN269 4.2 13.9 1.0 OG1 A:THR273 4.4 16.5 1.0 CG A:ARG272 4.4 19.4 1.0 CB A:GLN269 4.5 14.9 1.0 C A:GLN269 4.7 15.2 1.0 O A:HOH428 4.8 20.5 1.0 N A:THR273 4.9 15.3 1.0 CD A:GLN269 5.0 20.8 1.0 CA A:ARG272 5.0 16.9 1.0

Zinc binding site 3 out of 3 in the Crystal Structure of the Pseudomonas Aeruginosa Lpxc/Lpc-014 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-014 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn311 b:15.3 occ:1.00 OD1 A:ASP241 2.0 13.4 1.0 NE2 A:HIS237 2.1 12.0 1.0 NE2 A:HIS78 2.1 12.9 1.0 O01 A:1WL303 2.1 16.6 1.0 O04 A:1WL303 2.3 15.3 1.0 OD2 A:ASP241 2.3 19.6 1.0 CG A:ASP241 2.5 18.1 1.0 C02 A:1WL303 2.9 16.4 1.0 N03 A:1WL303 3.0 15.8 1.0 CE1 A:HIS237 3.0 11.0 1.0 CD2 A:HIS78 3.0 15.3 1.0 CD2 A:HIS237 3.1 14.7 1.0 CE1 A:HIS78 3.1 13.6 1.0 OG1 A:THR190 4.0 15.4 1.0 CB A:ASP241 4.0 12.1 1.0 ND1 A:HIS237 4.1 13.9 1.0 O A:HOH545 4.1 30.2 1.0 CG A:HIS237 4.2 14.2 1.0 ND1 A:HIS78 4.2 14.3 1.0 CG A:HIS78 4.2 15.1 1.0 CG A:GLU77 4.2 16.5 1.0 C05 A:1WL303 4.2 21.1 1.0 CB A:THR190 4.3 15.1 1.0 OE2 A:GLU77 4.3 15.5 1.0 C26 A:1WL303 4.7 22.9 1.0 NE2 A:HIS264 4.7 20.4 1.0 CE1 A:HIS264 4.7 17.7 1.0 CA A:ASP241 4.8 13.3 1.0 CD A:GLU77 4.8 16.2 1.0 O A:HIS237 4.9 13.5 1.0 CA A:THR190 4.9 14.3 1.0 N06 A:1WL303 5.0 21.7 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