Cobalt in PDB 4e9a: Structure of Peptide Deformylase Form Helicobacter Pylori in Complex with Inhibitor

All present enzymatic activity of Structure of Peptide Deformylase Form Helicobacter Pylori in Complex with Inhibitor:
3.5.1.88;

The structure of Structure of Peptide Deformylase Form Helicobacter Pylori in Complex with Inhibitor, PDB code: 4e9a was solved by K.Cui, L.Zhu, W.Lu, J.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.48 / 1.66
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.891, 52.057, 92.064, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 23

The binding sites of Cobalt atom in the Structure of Peptide Deformylase Form Helicobacter Pylori in Complex with Inhibitor (pdb code 4e9a). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total only one binding site of Cobalt was determined in the Structure of Peptide Deformylase Form Helicobacter Pylori in Complex with Inhibitor, PDB code: 4e9a:

Cobalt binding site 1 out of 1 in the Structure of Peptide Deformylase Form Helicobacter Pylori in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Structure of Peptide Deformylase Form Helicobacter Pylori in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:20.3 occ:1.00 NE2 A:HIS138 2.1 17.9 1.0 NE2 A:HIS142 2.1 17.6 1.0 O A:HOH332 2.2 24.0 1.0 SG A:CYS96 2.4 21.7 1.0 CD2 A:HIS138 2.9 21.0 1.0 CD2 A:HIS142 3.1 19.1 1.0 CE1 A:HIS142 3.2 17.9 1.0 CE1 A:HIS138 3.2 20.5 1.0 CB A:CYS96 3.4 21.1 1.0 O A:HOH305 3.5 19.5 1.0 O A:HOH317 3.7 25.3 1.0 NE2 A:GLN51 3.7 19.3 1.0 OE1 A:GLN51 3.8 19.8 1.0 CA A:CYS96 3.9 21.2 1.0 CD A:GLN51 4.0 20.1 1.0 OE2 A:GLU139 4.0 23.3 1.0 CG A:HIS138 4.2 19.4 1.0 CG A:HIS142 4.2 18.0 1.0 ND1 A:HIS142 4.2 18.6 1.0 ND1 A:HIS138 4.3 20.3 1.0 C1 A:QAP202 4.5 30.7 1.0 OE1 A:GLU139 4.5 21.2 1.0 N A:LEU97 4.5 20.3 1.0 O A:HOH308 4.5 19.9 1.0 CD A:GLU139 4.6 22.6 1.0 C A:CYS96 4.6 24.0 1.0 O A:GLY95 4.7 22.1 1.0 C3 A:QAP202 4.7 30.1 1.0 O1 A:QAP202 4.8 30.0 1.0

K.Cui, L.Zhu, W.Lu, J.Huang. Identification of Novel Peptide Deformylase Inhibitors From Natural Products To Be Published.