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

Enzymatic activity of 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;

Protein crystallography data

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

Nickel Binding Sites:

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 4eox

Go back to Nickel Binding Sites List in 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

Reference:

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
Page generated: Fri Sep 25 08:41:23 2020
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