Nickel in PDB 4eox: X-Ray Structure of Polypeptide Deformylase Bound to A Acylprolinamide Inhibitor

All present enzymatic activity of X-Ray Structure of Polypeptide Deformylase Bound to A Acylprolinamide Inhibitor:
3.5.1.88;

The structure of X-Ray Structure of Polypeptide Deformylase Bound to A Acylprolinamide Inhibitor, PDB code: 4eox was solved by P.Ward, N.Campobasso, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.68 / 1.78
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	49.681, 49.681, 92.748, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 23

The binding sites of Nickel atom in the X-Ray Structure of Polypeptide Deformylase Bound to A Acylprolinamide Inhibitor (pdb code 4eox). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the X-Ray Structure of Polypeptide Deformylase Bound to A Acylprolinamide Inhibitor, PDB code: 4eox:

Nickel binding site 1 out of 1 in the X-Ray Structure of Polypeptide Deformylase Bound to A Acylprolinamide Inhibitor


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of X-Ray Structure of Polypeptide Deformylase Bound to A Acylprolinamide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ P:Ni301 b:20.3 occ:1.00 O1 P:0S5302 2.0 19.2 1.0 NE2 P:HIS177 2.1 11.6 1.0 O30 P:0S5302 2.2 16.1 1.0 NE2 P:HIS173 2.2 19.5 1.0 SG P:CYS130 2.5 18.7 1.0 C29 P:0S5302 2.9 19.2 1.0 N2 P:0S5302 2.9 19.8 1.0 CD2 P:HIS177 3.0 15.3 1.0 CD2 P:HIS173 3.0 19.9 1.0 CE1 P:HIS177 3.2 16.0 1.0 NE2 P:GLN77 3.3 20.6 1.0 CE1 P:HIS173 3.4 20.1 1.0 CB P:CYS130 3.6 16.2 1.0 O P:HOH420 3.9 20.5 1.0 CA P:CYS130 3.9 15.7 1.0 CD P:GLN77 3.9 18.6 1.0 N P:LEU131 4.1 16.5 1.0 OE1 P:GLN77 4.2 19.8 1.0 CG P:HIS177 4.2 14.6 1.0 C3 P:0S5302 4.2 17.8 1.0 ND1 P:HIS177 4.2 18.2 1.0 CG P:HIS173 4.3 15.8 1.0 ND1 P:HIS173 4.4 18.2 1.0 C P:CYS130 4.5 22.1 1.0 OE1 P:GLU174 4.6 20.1 1.0 O P:HOH404 4.7 19.4 1.0 C4 P:0S5302 4.7 17.6 1.0 C5 P:0S5302 4.8 18.6 1.0 O P:GLY129 4.9 20.9 1.0 CG P:GLN77 4.9 13.9 1.0 OE2 P:GLU174 4.9 20.1 1.0 N P:SER132 5.0 18.9 1.0

J.M.Axten, J.R.Medina, C.W.Blackledge, C.Duquenne, S.W.Grant, M.A.Bobko, T.Peng, W.H.Miller, T.Pinckney, T.F.Gallagher, S.Kulkarni, T.Lewandowski, G.S.Van Aller, R.Zonis, P.Ward, N.Campobasso. Acylprolinamides: A New Class of Peptide Deformylase Inhibitors with in Vivo Antibacterial Activity. Bioorg.Med.Chem.Lett. V. 22 4028 2012.
ISSN: ISSN 0960-894X
PubMed: 22579486
DOI: 10.1016/J.BMCL.2012.04.086