Zinc in PDB 5upg: Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090

All present enzymatic activity of Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090:
3.5.1.108;

The structure of Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090, PDB code: 5upg was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.91 / 1.70
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	35.840, 47.400, 48.150, 111.27, 109.12, 98.12
R / Rfree (%)	14.7 / 18.6

The structure of Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090 also contains other interesting chemical elements:

Fluorine	(F)	3 atoms
Chlorine	(Cl)	1 atom

The binding sites of Zinc atom in the Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090 (pdb code 5upg). 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 Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090, PDB code: 5upg:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090


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 Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:7.9 occ:1.00 O19 A:8GJ401 2.1 5.4 0.8 OD2 A:ASP241 2.1 5.3 1.0 NE2 A:HIS78 2.1 8.5 1.0 NE2 A:HIS237 2.1 4.5 1.0 O19 A:8GJ401 2.1 6.3 0.2 O21 A:8GJ401 2.2 7.6 0.2 O21 A:8GJ401 2.2 6.6 0.8 OD1 A:ASP241 2.6 6.3 1.0 CG A:ASP241 2.7 4.6 1.0 C18 A:8GJ401 2.8 7.1 0.8 C18 A:8GJ401 2.8 6.9 0.2 N20 A:8GJ401 2.9 7.9 0.2 N20 A:8GJ401 2.9 8.4 0.8 CE1 A:HIS237 3.0 5.8 1.0 CE1 A:HIS78 3.1 6.4 1.0 CD2 A:HIS78 3.1 7.4 1.0 CD2 A:HIS237 3.1 3.7 1.0 OG1 A:THR190 3.9 7.0 1.0 ND1 A:HIS237 4.1 4.7 1.0 CB A:ASP241 4.2 4.0 1.0 ND1 A:HIS78 4.2 10.9 1.0 CG A:HIS237 4.2 3.7 1.0 CG A:HIS78 4.2 6.9 1.0 CB A:THR190 4.2 4.9 1.0 CG A:GLU77 4.3 5.5 1.0 C16 A:8GJ401 4.3 5.7 0.8 C16 A:8GJ401 4.3 6.6 0.2 OE2 A:GLU77 4.3 9.1 1.0 O25 A:8GJ401 4.6 12.6 0.2 O25 A:8GJ401 4.7 11.2 0.8 C23 A:8GJ401 4.7 9.8 0.8 C23 A:8GJ401 4.8 10.6 0.2 CE1 A:HIS264 4.8 7.9 1.0 CA A:THR190 4.8 7.5 1.0 NE2 A:HIS264 4.8 8.5 1.0 CD A:GLU77 4.8 10.4 1.0 S22 A:8GJ401 4.8 10.1 0.2 CA A:ASP241 4.8 4.1 1.0 S22 A:8GJ401 4.9 11.0 0.8 O A:HIS237 4.9 7.0 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090


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 Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn404 b:14.8 occ:0.61 OD1 A:ASP277 1.8 16.0 1.0 OD2 A:ASP279 1.9 22.9 1.0 CL A:CL405 2.0 17.9 0.8 CG A:ASP277 2.8 12.2 1.0 CG A:ASP279 2.8 25.8 1.0 OD2 A:ASP277 3.1 19.1 1.0 OD1 A:ASP279 3.1 25.1 1.0 CB A:ASP277 4.1 6.9 1.0 NH1 A:ARG133 4.1 34.5 1.0 CB A:ASP279 4.2 19.9 1.0 CA A:ASP277 4.4 7.3 1.0 N A:ASP279 4.5 9.1 1.0 C A:ASP277 4.6 7.7 1.0 CA A:ASP279 4.7 13.7 1.0 N A:ALA280 4.7 8.7 1.0 O A:ASP277 4.7 8.7 1.0 C A:ASP279 4.8 11.2 1.0

J.N.Phan, S.L.Delker, D.D.Lorimer, T.E.Edwards. Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090 To Be Published.