Calcium in PDB 2fof: Structure of Porcine Pancreatic Elastase in 80% Isopropanol

All present enzymatic activity of Structure of Porcine Pancreatic Elastase in 80% Isopropanol:
3.4.21.36;

The structure of Structure of Porcine Pancreatic Elastase in 80% Isopropanol, PDB code: 2fof was solved by C.Mattos, C.R.Bellamacina, E.Peisach, A.Pereira, D.Vitkup, G.A.Petsko, D.Ringe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	500.00 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.490, 58.240, 75.390, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 19.9

The binding sites of Calcium atom in the Structure of Porcine Pancreatic Elastase in 80% Isopropanol (pdb code 2fof). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Structure of Porcine Pancreatic Elastase in 80% Isopropanol, PDB code: 2fof:

Calcium binding site 1 out of 1 in the Structure of Porcine Pancreatic Elastase in 80% Isopropanol


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Porcine Pancreatic Elastase in 80% Isopropanol within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca280 b:23.4 occ:1.00 O A:GLN79 2.3 28.0 1.0 OE1 A:GLU74 2.3 19.5 1.0 O A:ASN76 2.3 17.1 1.0 OE2 A:GLU84 2.4 11.4 1.0 OD1 A:ASN81 2.4 20.6 1.0 O A:HOH403 2.4 24.9 1.0 CD A:GLU74 3.1 16.2 1.0 OE2 A:GLU74 3.3 17.4 1.0 C A:ASN76 3.4 17.8 1.0 CD A:GLU84 3.4 14.0 1.0 CG A:ASN81 3.5 21.5 1.0 C A:GLN79 3.5 27.8 1.0 N A:ASN81 3.8 22.4 1.0 CG A:GLU84 3.8 16.1 1.0 N A:ASN76 3.9 15.6 1.0 CA A:ASN76 4.1 17.5 1.0 CB A:ASN81 4.1 21.8 1.0 CA A:ASN80 4.3 25.8 1.0 N A:GLN79 4.3 29.6 1.0 N A:ASN80 4.3 26.9 1.0 CB A:ASN76 4.4 17.6 1.0 N A:LEU77 4.4 18.6 1.0 C A:ASN80 4.5 24.8 1.0 CG A:GLU74 4.5 14.5 1.0 N A:HIS75 4.5 14.1 1.0 CA A:GLN79 4.5 30.0 1.0 OE1 A:GLU84 4.5 14.0 1.0 ND2 A:ASN81 4.5 22.4 1.0 CA A:ASN81 4.6 21.5 1.0 CA A:LEU77 4.6 20.9 1.0 C A:LEU77 4.8 23.0 1.0 C A:HIS75 4.9 14.4 1.0

C.Mattos, C.R.Bellamacina, E.Peisach, A.Pereira, D.Vitkup, G.A.Petsko, D.Ringe. Multiple Solvent Crystal Structures: Probing Binding Sites, Plasticity and Hydration J.Mol.Biol. V. 357 1471 2006.
ISSN: ISSN 0022-2836
PubMed: 16488429
DOI: 10.1016/J.JMB.2006.01.039