Zinc in PDB 3oaj: Crystal Structure of Putative Dioxygenase From Bacillus Subtilis Subsp. Subtilis Str. 168

The structure of Crystal Structure of Putative Dioxygenase From Bacillus Subtilis Subsp. Subtilis Str. 168, PDB code: 3oaj was solved by V.N.Malashkevich, R.Toro, R.Seidel, S.Garrett, R.Foti, S.C.Almo, New Yorkstructural Genomics Research Consortium (Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.215, 86.181, 72.968, 90.00, 91.65, 90.00
R / Rfree (%)	18 / 22.5

The binding sites of Zinc atom in the Crystal Structure of Putative Dioxygenase From Bacillus Subtilis Subsp. Subtilis Str. 168 (pdb code 3oaj). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Putative Dioxygenase From Bacillus Subtilis Subsp. Subtilis Str. 168, PDB code: 3oaj:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Putative Dioxygenase From Bacillus Subtilis Subsp. Subtilis Str. 168


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 Putative Dioxygenase From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn500 b:17.6 occ:0.70 OE1 A:GLU266 1.8 12.5 1.0 NE2 A:HIS11 2.1 10.1 1.0 O3 A:SO4501 2.2 21.1 1.0 O4 A:SO4501 2.2 20.8 1.0 NE2 A:HIS218 2.3 12.6 1.0 S A:SO4501 2.5 19.9 1.0 CD A:GLU266 2.7 12.1 1.0 OE2 A:GLU266 3.0 15.0 1.0 O1 A:SO4501 3.0 22.0 1.0 CE1 A:HIS11 3.0 9.9 1.0 CD2 A:HIS218 3.1 12.9 1.0 CD2 A:HIS11 3.1 9.9 1.0 CE1 A:HIS218 3.4 13.2 1.0 OG1 A:THR13 3.8 11.6 1.0 O2 A:SO4501 3.8 22.0 1.0 CG A:GLU266 4.1 12.4 1.0 ND1 A:HIS11 4.1 9.2 1.0 CE1 A:TYR256 4.2 12.5 1.0 CG A:HIS11 4.2 9.5 1.0 OH A:TYR256 4.3 13.0 1.0 CB A:ALA220 4.3 9.9 1.0 CG A:HIS218 4.3 12.2 1.0 ND1 A:HIS218 4.4 12.8 1.0 CB A:GLU266 4.5 10.6 1.0 CB A:THR13 4.6 10.0 1.0 CE1 A:PHE252 4.7 11.0 1.0 CZ A:TYR256 4.7 12.6 1.0 CZ A:PHE252 4.7 11.9 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Putative Dioxygenase From Bacillus Subtilis Subsp. Subtilis Str. 168


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 Putative Dioxygenase From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn500 b:19.1 occ:0.70 OE1 B:GLU266 1.9 11.5 1.0 NE2 B:HIS11 2.1 10.4 1.0 O4 B:SO4501 2.2 20.3 1.0 O3 B:SO4501 2.2 20.3 1.0 NE2 B:HIS218 2.3 12.6 1.0 S B:SO4501 2.5 19.8 1.0 CD B:GLU266 2.8 12.2 1.0 O2 B:SO4501 3.0 21.5 1.0 CE1 B:HIS11 3.0 10.1 1.0 OE2 B:GLU266 3.0 13.8 1.0 CD2 B:HIS218 3.1 12.3 1.0 CD2 B:HIS11 3.2 9.9 1.0 CE1 B:HIS218 3.4 12.7 1.0 OG1 B:THR13 3.7 11.1 1.0 O1 B:SO4501 3.8 21.4 1.0 ND1 B:HIS11 4.2 9.7 1.0 CG B:GLU266 4.2 11.6 1.0 CE2 B:TYR256 4.2 13.4 1.0 CG B:HIS11 4.2 9.8 1.0 OH B:TYR256 4.3 14.9 1.0 CB B:ALA220 4.3 10.2 1.0 CG B:HIS218 4.3 12.0 1.0 ND1 B:HIS218 4.4 12.7 1.0 CB B:THR13 4.5 9.5 1.0 CB B:GLU266 4.6 10.7 1.0 CZ B:TYR256 4.7 13.1 1.0 CE2 B:PHE252 4.7 10.5 1.0 CZ B:PHE252 4.8 10.9 1.0

V.N.Malashkevich, R.Toro, R.Seidel, S.Garrett, R.Foti, S.C.Almo. Crystal Structure of Putative Dioxygenase From Bacillus Subtilis Subsp. Subtilis Str. 168 To Be Published.