Zinc in PDB 1bqb: Aureolysin, Staphylococcus Aureus Metalloproteinase

All present enzymatic activity of Aureolysin, Staphylococcus Aureus Metalloproteinase:
3.4.24.27;

The structure of Aureolysin, Staphylococcus Aureus Metalloproteinase, PDB code: 1bqb was solved by F.J.Medrano, A.Banbula, J.Potempa, J.Travis, W.Bode, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.72
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	33.700, 79.500, 100.100, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 23.9

The structure of Aureolysin, Staphylococcus Aureus Metalloproteinase also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Zinc atom in the Aureolysin, Staphylococcus Aureus Metalloproteinase (pdb code 1bqb). 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 Aureolysin, Staphylococcus Aureus Metalloproteinase, PDB code: 1bqb:

Zinc binding site 1 out of 1 in the Aureolysin, Staphylococcus Aureus Metalloproteinase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Aureolysin, Staphylococcus Aureus Metalloproteinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn350 b:15.0 occ:1.00 OE2 A:GLU168 2.0 13.8 1.0 NE2 A:HIS144 2.1 9.3 1.0 NE2 A:HIS148 2.1 12.2 1.0 O A:HOH452 2.2 33.6 1.0 O A:HOH400 2.5 53.8 1.0 CD A:GLU168 2.8 14.1 1.0 CD2 A:HIS144 3.0 8.8 1.0 OE1 A:GLU168 3.0 14.7 1.0 CE1 A:HIS148 3.0 10.9 1.0 CE1 A:HIS144 3.2 8.0 1.0 CD2 A:HIS148 3.2 11.2 1.0 OH A:TYR159 3.9 20.1 1.0 CG A:HIS144 4.1 9.0 1.0 ND1 A:HIS148 4.2 11.2 1.0 ND1 A:HIS144 4.2 9.0 1.0 CG A:GLU168 4.2 13.4 1.0 CG A:HIS148 4.3 10.7 1.0 NE2 A:HIS228 4.4 15.5 1.0 O A:HOH415 4.5 30.3 1.0 CB A:SER171 4.5 10.1 1.0 OG A:SER171 4.6 12.0 1.0 CA A:GLU168 4.7 11.3 1.0 OE1 A:GLU145 4.8 14.7 1.0 OE2 A:GLU145 4.8 17.1 1.0 CZ A:TYR159 4.9 19.0 1.0 O A:HOH418 5.0 34.0 1.0 CB A:GLU168 5.0 12.1 1.0 CE1 A:TYR159 5.0 18.9 1.0

A.Banbula, J.Potempa, J.Travis, C.Fernandez-Catalan, K.Mann, R.Huber, W.Bode, F.Medrano. Amino-Acid Sequence and Three-Dimensional Structure of the Staphylococcus Aureus Metalloproteinase at 1.72 A Resolution. Structure V. 6 1185 1998.
ISSN: ISSN 0969-2126
PubMed: 9753696
DOI: 10.1016/S0969-2126(98)00118-X