Zinc in PDB 4is9: Crystal Structure of the Escherichia Coli Lpxc/L-161,240 Complex

The structure of Crystal Structure of the Escherichia Coli Lpxc/L-161,240 Complex, PDB code: 4is9 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)	35.92 / 2.13
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	117.440, 117.440, 253.661, 90.00, 90.00, 120.00
R / Rfree (%)	21.6 / 24.7

The structure of Crystal Structure of the Escherichia Coli Lpxc/L-161,240 Complex also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Zinc atom in the Crystal Structure of the Escherichia Coli Lpxc/L-161,240 Complex (pdb code 4is9). 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 Escherichia Coli Lpxc/L-161,240 Complex, PDB code: 4is9:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Escherichia Coli Lpxc/L-161,240 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 Escherichia Coli Lpxc/L-161,240 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn502 b:26.1 occ:1.00 NE2 A:HIS238 2.0 27.2 1.0 NE2 A:HIS79 2.0 28.4 1.0 OD1 A:ASP242 2.1 30.8 1.0 OAS A:LTF503 2.1 30.0 1.0 OD2 A:ASP242 2.2 30.8 1.0 O A:LTF503 2.3 31.0 1.0 CG A:ASP242 2.4 29.1 1.0 NAB A:LTF503 2.8 30.9 1.0 CE1 A:HIS238 2.8 28.2 1.0 C A:LTF503 2.8 30.5 1.0 CD2 A:HIS79 3.0 27.9 1.0 CE1 A:HIS79 3.1 28.6 1.0 CD2 A:HIS238 3.1 25.5 1.0 O A:HOH618 3.6 43.6 1.0 CB A:ASP242 4.0 27.7 1.0 ND1 A:HIS238 4.0 24.8 1.0 CG A:HIS238 4.1 26.4 1.0 CG A:HIS79 4.1 28.4 1.0 ND1 A:HIS79 4.2 28.4 1.0 CG A:GLU78 4.3 38.8 1.0 CA A:LTF503 4.3 32.7 1.0 NE2 A:HIS265 4.3 30.6 1.0 CB A:THR191 4.3 32.9 1.0 OG1 A:THR191 4.4 32.1 1.0 CA A:ASP242 4.8 26.7 1.0 CE1 A:HIS265 4.8 30.8 1.0 CB A:LTF503 4.8 32.7 1.0 O A:HIS238 4.8 23.6 1.0 O A:HOH721 5.0 40.0 1.0 CD2 A:LEU241 5.0 29.1 1.0 CA A:THR191 5.0 32.5 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Escherichia Coli Lpxc/L-161,240 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 Escherichia Coli Lpxc/L-161,240 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:47.9 occ:1.00 NE2 B:HIS238 2.0 49.2 1.0 OD1 B:ASP242 2.0 52.2 1.0 NE2 B:HIS79 2.0 45.3 1.0 OAS B:LTF402 2.1 69.9 1.0 O B:LTF402 2.3 70.3 1.0 NAB B:LTF402 2.7 70.2 1.0 C B:LTF402 2.8 70.6 1.0 CG B:ASP242 2.8 51.5 1.0 CE1 B:HIS238 2.8 48.3 1.0 OD2 B:ASP242 2.9 52.7 1.0 CD2 B:HIS79 3.0 44.8 1.0 CE1 B:HIS79 3.0 46.7 1.0 CD2 B:HIS238 3.1 48.3 1.0 ND1 B:HIS238 4.0 47.1 1.0 CG B:HIS238 4.1 47.3 1.0 ND1 B:HIS79 4.1 46.8 1.0 CG B:GLU78 4.2 58.3 1.0 CG B:HIS79 4.2 46.0 1.0 CB B:ASP242 4.3 49.0 1.0 CA B:LTF402 4.3 71.8 1.0 NE2 B:HIS265 4.4 71.2 1.0 CB B:THR191 4.4 51.4 1.0 OG1 B:THR191 4.7 51.1 1.0 CE1 B:HIS265 4.8 69.1 1.0 O B:HIS238 4.8 43.1 1.0 CA B:ASP242 4.9 46.9 1.0 CB B:GLU78 4.9 57.1 1.0

C.J.Lee, X.Liang, R.Gopalaswamy, J.Najeeb, E.D.Ark, E.J.Toone, P.Zhou. Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia Coli Lpxc. Acs Chem.Biol. V. 9 237 2014.
ISSN: ISSN 1554-8929
PubMed: 24117400
DOI: 10.1021/CB400067G