Calcium in PDB 2bda: Porcine Pancreatic Elastase Complexed with N-Acetyl-Npi and Ala-Ala at pH 5.0

All present enzymatic activity of Porcine Pancreatic Elastase Complexed with N-Acetyl-Npi and Ala-Ala at pH 5.0:
3.4.21.36;

The structure of Porcine Pancreatic Elastase Complexed with N-Acetyl-Npi and Ala-Ala at pH 5.0, PDB code: 2bda was solved by B.Liu, C.J.Schofield, R.C.Wilmouth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.60 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.507, 57.665, 73.872, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 21.2

The binding sites of Calcium atom in the Porcine Pancreatic Elastase Complexed with N-Acetyl-Npi and Ala-Ala at pH 5.0 (pdb code 2bda). 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 Porcine Pancreatic Elastase Complexed with N-Acetyl-Npi and Ala-Ala at pH 5.0, PDB code: 2bda:

Calcium binding site 1 out of 1 in the Porcine Pancreatic Elastase Complexed with N-Acetyl-Npi and Ala-Ala at pH 5.0


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Porcine Pancreatic Elastase Complexed with N-Acetyl-Npi and Ala-Ala at pH 5.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca260 b:17.6 occ:1.00 O A:ASN72 2.3 14.3 1.0 OE1 A:GLU80 2.3 17.1 1.0 OE1 A:GLU70 2.4 16.8 1.0 O A:GLN75 2.4 13.1 1.0 O A:HOH1110 2.4 25.8 1.0 ND2 A:ASN77 2.4 15.7 1.0 CD A:GLU70 3.2 19.3 1.0 OE2 A:GLU70 3.3 30.1 1.0 CD A:GLU80 3.4 13.2 1.0 C A:ASN72 3.5 15.8 1.0 CG A:ASN77 3.5 20.7 1.0 C A:GLN75 3.6 17.1 1.0 N A:ASN77 3.8 17.4 1.0 CG A:GLU80 3.9 11.7 1.0 N A:ASN72 3.9 13.8 1.0 CB A:ASN77 4.1 14.5 1.0 O A:HOH1078 4.1 42.2 1.0 CA A:ASN72 4.2 14.5 1.0 CA A:ASN76 4.3 19.6 1.0 OD1 A:ASN77 4.4 17.6 1.0 N A:GLN75 4.4 19.5 1.0 N A:ASN76 4.4 15.8 1.0 C A:ASN76 4.4 18.5 1.0 CB A:ASN72 4.5 13.0 1.0 OE2 A:GLU80 4.5 13.8 1.0 N A:LEU73 4.5 13.9 1.0 CA A:GLN75 4.6 18.9 1.0 N A:HIS71 4.6 15.8 1.0 CG A:GLU70 4.6 12.6 1.0 CA A:ASN77 4.6 15.1 1.0 CA A:LEU73 4.6 17.6 1.0 C A:LEU73 4.7 17.2 1.0 O A:HOH1109 4.9 22.5 1.0 O A:LEU73 4.9 20.5 1.0

B.Liu, C.J.Schofield, R.C.Wilmouth. Structural Analyses on Intermediates in Serine Protease Catalysis J.Biol.Chem. V. 281 24024 2006.
ISSN: ISSN 0021-9258
PubMed: 16754679
DOI: 10.1074/JBC.M600495200