Zinc in PDB 5u86: Structure of the Aquifex Aeolicus Lpxc/Lpc-069 Complex

All present enzymatic activity of Structure of the Aquifex Aeolicus Lpxc/Lpc-069 Complex:
3.5.1.108;

The structure of Structure of the Aquifex Aeolicus Lpxc/Lpc-069 Complex, PDB code: 5u86 was solved by J.Najeeb, C.-J.Lee, P.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.53 / 1.62
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	65.990, 65.990, 132.420, 90.00, 90.00, 120.00
R / Rfree (%)	13.9 / 15.4

The structure of Structure of the Aquifex Aeolicus Lpxc/Lpc-069 Complex also contains other interesting chemical elements:

Fluorine	(F)	4 atoms
Chlorine	(Cl)	1 atom

The binding sites of Zinc atom in the Structure of the Aquifex Aeolicus Lpxc/Lpc-069 Complex (pdb code 5u86). 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 Structure of the Aquifex Aeolicus Lpxc/Lpc-069 Complex, PDB code: 5u86:

Zinc binding site 1 out of 1 in the Structure of the Aquifex Aeolicus Lpxc/Lpc-069 Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of the Aquifex Aeolicus Lpxc/Lpc-069 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:9.7 occ:1.00 NE2 A:HIS74 2.1 8.8 1.0 O27 A:81V302 2.1 9.4 0.7 OD1 A:ASP230 2.1 9.3 1.0 O29 A:81V302 2.1 10.2 0.3 NE2 A:HIS226 2.1 6.2 1.0 O29 A:81V302 2.1 9.2 0.7 O27 A:81V302 2.2 10.8 0.3 CG A:ASP230 2.8 8.5 1.0 N28 A:81V302 2.8 11.9 0.3 C26 A:81V302 2.8 11.4 0.3 C26 A:81V302 2.8 11.3 0.7 OD2 A:ASP230 2.8 9.2 1.0 N28 A:81V302 2.9 12.3 0.7 CE1 A:HIS226 3.0 8.1 1.0 CE1 A:HIS74 3.0 15.2 1.0 CD2 A:HIS74 3.1 7.0 1.0 CD2 A:HIS226 3.1 7.4 1.0 OG1 A:THR179 4.1 10.2 1.0 ND1 A:HIS226 4.2 7.6 1.0 O A:HOH635 4.2 17.0 1.0 ND1 A:HIS74 4.2 15.7 1.0 C32 A:81V302 4.2 15.4 0.3 CG A:HIS226 4.2 7.5 1.0 CG A:HIS74 4.2 10.7 1.0 C25 A:81V302 4.3 12.5 0.3 CB A:ASP230 4.3 6.6 1.0 OE2 A:GLU73 4.3 11.8 1.0 CG A:GLU73 4.3 9.2 1.0 C25 A:81V302 4.3 12.4 0.7 CB A:THR179 4.4 8.7 1.0 F33 A:81V302 4.5 15.3 0.3 C30 A:81V302 4.7 14.7 0.3 C32 A:81V302 4.8 15.4 0.7 C35 A:81V302 4.8 16.2 0.7 CD A:GLU73 4.8 10.2 1.0 O A:HOH510 4.8 20.2 1.0 CA A:ASP230 4.9 6.8 1.0 O31 A:81V302 4.9 16.4 0.3 C30 A:81V302 4.9 14.4 0.7 NE2 A:HIS253 4.9 12.8 1.0 CE1 A:HIS253 4.9 11.6 1.0 N24 A:81V302 5.0 12.3 0.7 N24 A:81V302 5.0 13.0 0.3 O A:HIS226 5.0 8.6 1.0 CA A:THR179 5.0 6.5 1.0

N.Lemaitre, X.Liang, J.Najeeb, C.J.Lee, M.Titecat, E.Leteurtre, M.Simonet, E.J.Toone, P.Zhou, F.Sebbane. Curative Treatment of Severe Gram-Negative Bacterial Infections By A New Class of Antibiotics Targeting Lpxc. Mbio V. 8 2017.
ISSN: ESSN 2150-7511
PubMed: 28743813
DOI: 10.1128/MBIO.00674-17