Zinc in PDB 2wta: Acinetobacter Baumanii Nicotinamidase Pyrazinamidease

All present enzymatic activity of Acinetobacter Baumanii Nicotinamidase Pyrazinamidease:
3.5.1.19;

The structure of Acinetobacter Baumanii Nicotinamidase Pyrazinamidease, PDB code: 2wta was solved by P.K.Fyfe, V.A.Rao, A.Zemla, S.Cameron, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.54 / 1.70
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	50.688, 46.507, 107.602, 90.00, 101.97, 90.00
R / Rfree (%)	14.748 / 17.661

The structure of Acinetobacter Baumanii Nicotinamidase Pyrazinamidease also contains other interesting chemical elements:

Arsenic	(As)	1 atom
Chlorine	(Cl)	3 atoms

The binding sites of Zinc atom in the Acinetobacter Baumanii Nicotinamidase Pyrazinamidease (pdb code 2wta). 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 Acinetobacter Baumanii Nicotinamidase Pyrazinamidease, PDB code: 2wta:

Zinc binding site 1 out of 1 in the Acinetobacter Baumanii Nicotinamidase Pyrazinamidease


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Acinetobacter Baumanii Nicotinamidase Pyrazinamidease within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1215 b:24.1 occ:1.00 OD2 A:ASP54 2.1 19.4 1.0 NE2 A:HIS56 2.1 12.7 1.0 NE2 A:HIS89 2.2 17.9 1.0 N5 A:VGL1216 2.2 22.6 0.8 O A:HOH2201 2.3 21.5 1.0 O A:HOH2202 2.3 23.9 1.0 C4 A:VGL1216 3.0 25.6 0.8 CE1 A:HIS89 3.0 17.4 1.0 CG A:ASP54 3.1 18.7 1.0 CE1 A:HIS56 3.1 14.8 1.0 CD2 A:HIS56 3.1 13.3 1.0 C6 A:VGL1216 3.2 26.3 0.8 CD2 A:HIS89 3.2 16.4 1.0 OD1 A:ASP54 3.4 22.0 1.0 OD1 A:ASP121 4.1 20.4 1.0 ND1 A:HIS89 4.2 15.7 1.0 ND1 A:HIS56 4.2 12.4 1.0 CG A:HIS56 4.3 12.7 1.0 C3 A:VGL1216 4.3 25.6 0.8 CG A:HIS89 4.3 15.7 1.0 CB A:ASP54 4.4 15.0 1.0 OG A:SER62 4.5 15.9 1.0 C1 A:VGL1216 4.5 26.9 0.8 CZ A:PHE21 4.6 19.1 1.0 OD2 A:ASP121 4.6 18.4 1.0 CG A:ASP121 4.8 19.2 1.0 N2 A:VGL1216 4.9 28.4 0.8

P.K.Fyfe, V.A.Rao, A.Zemla, S.Cameron, W.N.Hunter. Specificity and Mechanism of Acinetobacter Baumanii Nicotinamidase: Implications For Activation of the Front-Line Tuberculosis Drug Pyrazinamide. Angew.Chem.Int.Ed.Engl. V. 48 9176 2009.
ISSN: ISSN 1433-7851
PubMed: 19859929
DOI: 10.1002/ANIE.200903407