Zinc in PDB 5u39: Pseudomonas Aeruginosa Lpxc in Complex with Chir-090

All present enzymatic activity of Pseudomonas Aeruginosa Lpxc in Complex with Chir-090:
3.5.1.108;

The structure of Pseudomonas Aeruginosa Lpxc in Complex with Chir-090, PDB code: 5u39 was solved by E.R.Sprague, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.34 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.230, 82.880, 87.530, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 20.2

The binding sites of Zinc atom in the Pseudomonas Aeruginosa Lpxc in Complex with Chir-090 (pdb code 5u39). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Pseudomonas Aeruginosa Lpxc in Complex with Chir-090, PDB code: 5u39:

Zinc binding site 1 out of 1 in the Pseudomonas Aeruginosa Lpxc in Complex with Chir-090


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Pseudomonas Aeruginosa Lpxc in Complex with Chir-090 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:13.7 occ:1.00 O22 A:C90502 2.0 14.6 1.0 OD1 A:ASP241 2.0 12.4 1.0 NE2 A:HIS237 2.0 11.2 1.0 NE2 A:HIS78 2.1 15.9 1.0 O24 A:C90502 2.2 17.3 1.0 OD2 A:ASP241 2.6 12.8 1.0 CG A:ASP241 2.6 11.6 1.0 C22 A:C90502 2.8 17.0 1.0 CE1 A:HIS237 3.0 11.0 1.0 N23 A:C90502 3.0 17.3 1.0 CD2 A:HIS78 3.0 16.2 1.0 CD2 A:HIS237 3.1 11.6 1.0 CE1 A:HIS78 3.2 15.7 1.0 OG1 A:THR190 4.0 15.7 1.0 CB A:ASP241 4.1 12.0 1.0 ND1 A:HIS237 4.1 11.9 1.0 CG A:HIS237 4.2 10.9 1.0 CG A:HIS78 4.2 16.0 1.0 CG A:GLU77 4.2 22.8 1.0 C18 A:C90502 4.2 19.5 1.0 ND1 A:HIS78 4.3 17.3 1.0 OE2 A:GLU77 4.3 33.6 1.0 CB A:THR190 4.3 13.1 1.0 NE2 A:HIS264 4.5 29.1 1.0 C19 A:C90502 4.7 21.3 1.0 CD A:GLU77 4.8 36.7 1.0 CA A:ASP241 4.8 9.1 1.0 O A:HIS237 4.8 11.5 1.0 C21 A:C90502 4.8 23.5 1.0 CA A:THR190 4.9 10.5 1.0 CE1 A:HIS264 4.9 28.7 1.0 N17 A:C90502 4.9 16.3 1.0

G.Piizzi, D.T.Parker, Y.Peng, M.Dobler, A.Patnaik, S.Wattanasin, E.Liu, F.Lenoir, J.Nunez, J.Kerrigan, D.Mckenney, C.Osborne, D.Yu, L.Lanieri, J.Bojkovic, J.Dzink-Fox, M.D.Lilly, E.R.Sprague, Y.Lu, H.Wang, S.Ranjitkar, L.Xie, B.Wang, M.Glick, L.G.Hamann, R.Tommasi, X.Yang, C.R.Dean. Design, Synthesis, and Properties of A Potent Inhibitor of Pseudomonas Aeruginosa Deacetylase Lpxc. J. Med. Chem. V. 60 5002 2017.
ISSN: ISSN 1520-4804
PubMed: 28549219
DOI: 10.1021/ACS.JMEDCHEM.7B00377