Calcium 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:

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Extracellular Metalloproteinase From Aspergillus (pdb code 4k90). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Extracellular Metalloproteinase From Aspergillus, PDB code: 4k90:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Extracellular Metalloproteinase From Aspergillus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Extracellular Metalloproteinase From Aspergillus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca702 b:15.3 occ:1.00 O A:LEU375 2.3 17.9 1.0 O A:ASN364 2.3 13.1 1.0 OD1 A:ASP400 2.4 14.6 1.0 O A:HOH801 2.4 15.8 1.0 O A:HOH856 2.4 18.6 1.0 OD2 A:ASP378 2.5 16.5 1.0 OD1 A:ASP378 2.6 15.2 1.0 CG A:ASP378 2.9 18.3 1.0 CG A:ASP400 3.4 14.9 1.0 C A:LEU375 3.5 18.8 1.0 C A:ASN364 3.5 13.6 1.0 OD2 A:ASP400 3.8 14.9 1.0 NH1 A:ARG438 4.1 10.2 1.0 N A:ASN364 4.2 14.2 1.0 N A:LEU375 4.2 18.6 1.0 C A:GLY363 4.2 14.5 1.0 N A:GLY401 4.3 15.5 1.0 OD1 A:ASN364 4.4 14.6 1.0 CB A:ASP378 4.4 17.3 1.0 CA A:LEU375 4.4 18.7 1.0 O A:GLY363 4.4 14.1 1.0 CA A:ASN364 4.4 13.7 1.0 N A:GLY376 4.4 18.4 1.0 N A:PHE365 4.5 13.8 1.0 CA A:GLY376 4.5 18.5 1.0 O A:GLU366 4.5 16.4 1.0 N A:GLU366 4.5 15.8 1.0 CA A:PHE365 4.6 14.2 1.0 CA A:GLY363 4.7 14.2 1.0 CB A:ASP400 4.7 13.2 1.0 CA A:ASP400 4.9 13.9 1.0 O A:GLU360 4.9 15.0 1.0 O A:GLY376 4.9 18.1 1.0 CB A:LEU375 4.9 18.7 1.0 CG2 A:THR369 4.9 19.8 1.0 C A:GLY376 5.0 18.7 1.0

Calcium binding site 2 out of 2 in the Extracellular Metalloproteinase From Aspergillus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Extracellular Metalloproteinase From Aspergillus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca703 b:19.4 occ:0.80 O A:ASN445 2.3 11.8 1.0 O A:ASN437 2.3 10.4 1.0 O A:GLY442 2.4 11.6 1.0 O A:THR440 2.4 11.1 1.0 O A:HOH803 2.5 13.5 1.0 O A:ARG438 2.7 10.8 1.0 C A:ARG438 3.3 10.6 1.0 C A:ASN445 3.3 12.2 1.0 C A:GLY442 3.3 12.3 1.0 C A:ASN437 3.4 11.0 1.0 C A:THR440 3.5 11.3 1.0 CA A:ARG438 3.5 10.2 1.0 N A:GLY442 3.9 11.9 1.0 O A:HOH813 3.9 12.4 1.0 N A:ARG438 4.0 11.2 1.0 N A:ASN445 4.0 12.2 1.0 CA A:ASN445 4.1 12.3 1.0 C A:GLY441 4.1 11.8 1.0 N A:THR440 4.1 11.2 1.0 N A:PRO443 4.2 12.5 1.0 N A:SER446 4.2 11.6 1.0 CA A:GLY442 4.2 12.1 1.0 CA A:PRO443 4.3 12.6 1.0 N A:LEU439 4.3 10.8 1.0 C A:PRO443 4.3 12.7 1.0 C A:LEU439 4.3 11.9 1.0 O A:PRO443 4.4 13.1 1.0 CA A:THR440 4.4 11.1 1.0 CA A:SER446 4.4 12.8 1.0 N A:GLY441 4.4 10.9 1.0 CA A:GLY441 4.5 10.8 1.0 CB A:ASN445 4.6 12.2 1.0 O A:GLY441 4.6 11.9 1.0 O A:LEU439 4.7 11.7 1.0 CA A:ASN437 4.7 11.4 1.0 OG A:SER446 4.8 14.8 1.0 CA A:LEU439 4.8 11.3 1.0 N A:ALA444 4.9 11.9 1.0 CB A:ARG438 4.9 10.2 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