Zinc in PDB 4k90: Extracellular Metalloproteinase From Aspergillus

The structure of Extracellular Metalloproteinase From Aspergillus, PDB code: 4k90 was solved by D.Fernandez, S.Russi, J.Vendrell, M.Monod, I.Pallares, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.00 / 1.80
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	85.398, 85.398, 176.092, 90.00, 90.00, 120.00
R / Rfree (%)	16.7 / 19.8

The structure of Extracellular Metalloproteinase From Aspergillus also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Zinc atom in the Extracellular Metalloproteinase From Aspergillus (pdb code 4k90). 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 Extracellular Metalloproteinase From Aspergillus, PDB code: 4k90:

Zinc binding site 1 out of 1 in the Extracellular Metalloproteinase From Aspergillus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Extracellular Metalloproteinase From Aspergillus within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn701 b:14.7 occ:1.00 OXT B:GLU245 2.0 17.5 1.0 OE1 A:GLU459 2.0 13.2 1.0 NE2 A:HIS433 2.0 13.0 1.0 NE2 A:HIS429 2.0 13.1 1.0 C B:GLU245 2.6 17.7 1.0 O B:GLU245 2.6 17.2 1.0 CD A:GLU459 2.8 13.4 1.0 CE1 A:HIS433 2.9 13.6 1.0 CD2 A:HIS429 3.0 12.8 1.0 OE2 A:GLU459 3.0 14.3 1.0 CD2 A:HIS433 3.0 12.7 1.0 CE1 A:HIS429 3.0 11.1 1.0 NE2 A:HIS520 3.9 22.1 1.0 CA B:GLU245 4.0 17.8 1.0 ND1 A:HIS433 4.1 13.9 1.0 ND1 A:HIS429 4.1 13.0 1.0 CG A:HIS429 4.1 13.2 1.0 CG A:HIS433 4.1 13.2 1.0 CG A:GLU459 4.3 12.4 1.0 CD2 A:HIS520 4.3 20.2 1.0 O3A A:MLA704 4.3 50.8 1.0 N B:GLU245 4.4 16.4 1.0 CA A:GLU459 4.5 11.6 1.0 CB A:SER462 4.6 11.7 1.0 O A:HOH823 4.6 18.3 1.0 OG A:SER462 4.7 12.2 1.0 CB A:GLU459 4.7 11.0 1.0 O1B A:MLA704 4.7 51.4 1.0 CB B:GLU245 4.8 18.7 1.0 OE2 A:GLU430 4.8 16.4 1.0 C B:ALA244 5.0 16.0 1.0 OE1 A:GLU430 5.0 15.7 1.0 CB B:ALA244 5.0 14.8 1.0

D.Fernandez, S.Russi, J.Vendrell, M.Monod, I.Pallares. A Functional and Structural Study of the Major Metalloprotease Secreted By the Pathogenic Fungus Aspergillus Fumigatus. Acta Crystallogr.,Sect.D V. 69 1946 2013.
ISSN: ISSN 0907-4449
PubMed: 24100314
DOI: 10.1107/S0907444913017642