Zinc in PDB 3bal: Crystal Structure of An Acetylacetone Dioxygenase From Acinetobacter Johnsonii

All present enzymatic activity of Crystal Structure of An Acetylacetone Dioxygenase From Acinetobacter Johnsonii:
1.13.11.50;

The structure of Crystal Structure of An Acetylacetone Dioxygenase From Acinetobacter Johnsonii, PDB code: 3bal was solved by G.R.Stranzl, U.G.Wagner, G.Straganz, W.Steiner, C.Kratky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.95
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	43.200, 57.200, 62.930, 69.85, 74.32, 69.71
R / Rfree (%)	18.3 / 22.8

The binding sites of Zinc atom in the Crystal Structure of An Acetylacetone Dioxygenase From Acinetobacter Johnsonii (pdb code 3bal). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of An Acetylacetone Dioxygenase From Acinetobacter Johnsonii, PDB code: 3bal:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of An Acetylacetone Dioxygenase From Acinetobacter Johnsonii


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 An Acetylacetone Dioxygenase From Acinetobacter Johnsonii within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn154 b:18.2 occ:1.00 NE2 A:HIS64 2.1 13.1 1.0 ND1 A:HIS104 2.1 14.5 1.0 NE2 A:HIS62 2.2 12.0 1.0 CE1 A:HIS104 2.9 16.2 1.0 CD2 A:HIS64 3.0 12.1 1.0 CE1 A:HIS64 3.1 12.7 1.0 CD2 A:HIS62 3.1 13.2 1.0 CG A:HIS104 3.2 15.6 1.0 CE1 A:HIS62 3.3 13.0 1.0 CB A:HIS104 3.7 14.7 1.0 NE2 A:HIS104 4.1 14.5 1.0 CG A:HIS64 4.2 13.0 1.0 ND1 A:HIS64 4.2 14.1 1.0 CD2 A:HIS104 4.3 15.7 1.0 CG A:HIS62 4.3 13.1 1.0 ND1 A:HIS62 4.3 11.7 1.0 OG1 A:THR107 4.5 12.4 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of An Acetylacetone Dioxygenase From Acinetobacter Johnsonii


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of An Acetylacetone Dioxygenase From Acinetobacter Johnsonii within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn154 b:20.1 occ:1.00 ND1 B:HIS104 2.1 18.5 1.0 NE2 B:HIS64 2.1 16.0 1.0 NE2 B:HIS62 2.2 14.6 1.0 CE1 B:HIS104 2.8 19.8 1.0 CD2 B:HIS64 3.0 13.3 1.0 CD2 B:HIS62 3.1 15.1 1.0 CE1 B:HIS64 3.1 13.3 1.0 CE1 B:HIS62 3.2 14.8 1.0 CG B:HIS104 3.2 17.0 1.0 CB B:HIS104 3.7 16.5 1.0 NE2 B:HIS104 4.0 17.1 1.0 CG B:HIS64 4.2 13.1 1.0 ND1 B:HIS64 4.2 12.2 1.0 CD2 B:HIS104 4.2 18.5 1.0 CG B:HIS62 4.2 14.7 1.0 ND1 B:HIS62 4.3 13.7 1.0 OG1 B:THR107 4.5 15.5 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of An Acetylacetone Dioxygenase From Acinetobacter Johnsonii


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of An Acetylacetone Dioxygenase From Acinetobacter Johnsonii within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn154 b:19.3 occ:1.00 NE2 C:HIS64 2.1 14.5 1.0 ND1 C:HIS104 2.1 16.5 1.0 NE2 C:HIS62 2.1 15.1 1.0 CE1 C:HIS104 3.0 15.9 1.0 CE1 C:HIS62 3.0 14.4 1.0 CD2 C:HIS64 3.1 14.4 1.0 CE1 C:HIS64 3.2 14.5 1.0 CD2 C:HIS62 3.2 16.4 1.0 CG C:HIS104 3.2 14.8 1.0 CB C:HIS104 3.7 15.2 1.0 NE2 C:HIS104 4.2 14.3 1.0 ND1 C:HIS62 4.2 15.7 1.0 CG C:HIS64 4.2 14.7 1.0 ND1 C:HIS64 4.2 14.6 1.0 CG C:HIS62 4.3 14.7 1.0 CD2 C:HIS104 4.3 13.9 1.0 OG1 C:THR107 4.4 15.2 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of An Acetylacetone Dioxygenase From Acinetobacter Johnsonii


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of An Acetylacetone Dioxygenase From Acinetobacter Johnsonii within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn154 b:20.3 occ:1.00 ND1 D:HIS104 2.0 20.7 1.0 NE2 D:HIS62 2.1 17.4 1.0 NE2 D:HIS64 2.2 17.6 1.0 CE1 D:HIS104 2.8 20.2 1.0 CD2 D:HIS64 3.1 16.0 1.0 CE1 D:HIS62 3.1 16.5 1.0 CD2 D:HIS62 3.1 16.1 1.0 CG D:HIS104 3.2 19.6 1.0 CE1 D:HIS64 3.2 18.4 1.0 CB D:HIS104 3.6 20.6 1.0 NE2 D:HIS104 4.0 17.0 1.0 CD2 D:HIS104 4.2 19.1 1.0 ND1 D:HIS62 4.2 16.3 1.0 CG D:HIS64 4.3 17.1 1.0 CG D:HIS62 4.3 16.1 1.0 ND1 D:HIS64 4.3 18.0 1.0 OG1 D:THR107 4.5 19.0 1.0

G.R.Stranzl, U.G.Wagner, G.Straganz, W.Steiner, C.Kratky. Crystal Structure of An Acetylacetone Dioxygenase From Acinetobacter Johnsonii To Be Published.