Zinc in PDB 3ps2: Crystal Structure of the Escherichia Coli Lpxc/Lpc-012 Complex

The structure of Crystal Structure of the Escherichia Coli Lpxc/Lpc-012 Complex, PDB code: 3ps2 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)	26.86 / 2.30
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	107.449, 107.449, 53.422, 90.00, 90.00, 120.00
R / Rfree (%)	20.7 / 26.1

The binding sites of Zinc atom in the Crystal Structure of the Escherichia Coli Lpxc/Lpc-012 Complex (pdb code 3ps2). 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 Crystal Structure of the Escherichia Coli Lpxc/Lpc-012 Complex, PDB code: 3ps2:

Zinc binding site 1 out of 1 in the Crystal Structure of the Escherichia Coli Lpxc/Lpc-012 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/Lpc-012 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:28.1 occ:1.00 OD1 A:ASP242 2.0 22.9 1.0 O01 A:ZH4401 2.1 31.2 1.0 NE2 A:HIS238 2.1 28.1 1.0 NE2 A:HIS79 2.1 21.9 1.0 OD2 A:ASP242 2.2 25.6 1.0 O04 A:ZH4401 2.2 30.1 1.0 CG A:ASP242 2.4 26.2 1.0 C02 A:ZH4401 2.8 19.7 1.0 N03 A:ZH4401 2.9 23.6 1.0 CE1 A:HIS238 2.9 26.1 1.0 CD2 A:HIS79 3.0 15.8 1.0 CD2 A:HIS238 3.1 24.7 1.0 HE1 A:HIS238 3.1 31.3 1.0 CE1 A:HIS79 3.1 18.0 1.0 HD2 A:HIS79 3.1 18.9 1.0 HD2 A:HIS238 3.3 29.6 1.0 HE1 A:HIS79 3.3 21.5 1.0 HG1 A:THR191 3.6 29.0 1.0 HB A:THR191 3.6 36.0 1.0 HG3 A:GLU78 3.9 22.4 1.0 CB A:ASP242 3.9 29.8 1.0 ND1 A:HIS238 4.0 24.2 1.0 HE1 A:HIS265 4.1 29.4 1.0 OG1 A:THR191 4.1 24.3 1.0 CG A:HIS238 4.1 29.9 1.0 CG A:HIS79 4.2 21.7 1.0 ND1 A:HIS79 4.2 27.3 1.0 HG2 A:GLU78 4.2 22.4 1.0 C05 A:ZH4401 4.2 30.4 1.0 OE2 A:GLU78 4.2 35.9 1.0 CB A:THR191 4.3 30.0 1.0 HD23 A:LEU241 4.3 30.4 1.0 HB3 A:ASP242 4.4 35.7 1.0 HB2 A:ASP242 4.4 35.7 1.0 HA A:ASP242 4.4 35.4 1.0 CG A:GLU78 4.5 18.8 1.0 HA A:THR191 4.5 23.6 1.0 CE1 A:HIS265 4.7 24.6 1.0 CA A:ASP242 4.7 29.6 1.0 O A:HIS238 4.7 29.9 1.0 NE2 A:HIS265 4.7 24.8 1.0 HD1 A:HIS238 4.8 29.0 1.0 N06 A:ZH4401 4.8 29.7 1.0 CD A:GLU78 4.8 36.9 1.0 O27 A:ZH4401 4.9 38.8 1.0 C26 A:ZH4401 4.9 32.6 1.0 H A:ASP242 4.9 24.8 1.0 CA A:THR191 5.0 19.8 1.0 HD1 A:HIS79 5.0 32.7 1.0

X.Liang, C.J.Lee, X.Chen, H.S.Chung, D.Zeng, C.R.Raetz, Y.Li, P.Zhou, E.J.Toone. Syntheses, Structures and Antibiotic Activities of Lpxc Inhibitors Based on the Diacetylene Scaffold. Bioorg.Med.Chem. V. 19 852 2011.
ISSN: ISSN 0968-0896
PubMed: 21194954
DOI: 10.1016/J.BMC.2010.12.017