Calcium in PDB 2fog: Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol

All present enzymatic activity of Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol:
3.4.21.36;

The structure of Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol, PDB code: 2fog 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 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.600, 58.070, 75.460, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 22

The structure of Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol also contains other interesting chemical elements:

Fluorine

(F)

12 atoms

The binding sites of Calcium atom in the Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol (pdb code 2fog). 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 40% Trifluoroethanol, PDB code: 2fog:

Calcium binding site 1 out of 1 in the Structure of Porcine Pancreatic Elastase in 40% Trifluoroethanol


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 40% Trifluoroethanol within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca280 b:26.6 occ:1.00 O A:GLN79 2.2 29.8 1.0 O A:ASN76 2.2 21.1 1.0 O A:HOH403 2.3 24.5 1.0 OE1 A:GLU74 2.3 20.5 1.0 OE2 A:GLU84 2.4 19.5 1.0 OD1 A:ASN81 2.4 26.4 1.0 CD A:GLU74 3.1 18.6 1.0 OE2 A:GLU74 3.3 19.6 1.0 C A:ASN76 3.3 20.6 1.0 C A:GLN79 3.4 30.7 1.0 CD A:GLU84 3.5 19.5 1.0 CG A:ASN81 3.5 25.2 1.0 N A:ASN81 3.9 25.1 1.0 CG A:GLU84 3.9 17.6 1.0 N A:ASN76 4.0 16.4 1.0 CA A:ASN76 4.1 18.5 1.0 CA A:ASN80 4.2 27.8 1.0 N A:ASN80 4.2 29.2 1.0 CB A:ASN81 4.3 23.7 1.0 N A:LEU77 4.3 21.1 1.0 N A:GLN79 4.3 32.4 1.0 C A:ASN80 4.4 26.1 1.0 CB A:ASN76 4.4 19.1 1.0 CA A:GLN79 4.5 32.1 1.0 CA A:LEU77 4.5 24.0 1.0 ND2 A:ASN81 4.5 22.6 1.0 CG A:GLU74 4.5 16.2 1.0 C A:LEU77 4.5 26.5 1.0 OE1 A:GLU84 4.6 18.7 1.0 N A:HIS75 4.7 13.8 1.0 CA A:ASN81 4.7 23.7 1.0 O A:LEU77 4.7 28.5 1.0 O A:HOH669 4.9 34.9 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