Calcium in PDB 4gvu: Lyngbyastatin 7-Porcine Pancreatic Elastase Co-Crystal Structure

All present enzymatic activity of Lyngbyastatin 7-Porcine Pancreatic Elastase Co-Crystal Structure:
3.4.21.36;

The structure of Lyngbyastatin 7-Porcine Pancreatic Elastase Co-Crystal Structure, PDB code: 4gvu was solved by L.A.Salvador, K.Taori, J.S.Biggs, J.Jakoncic, D.Ostrov, V.J.Paul, H.Luesch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.71 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.399, 57.419, 74.328, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 20.6

The binding sites of Calcium atom in the Lyngbyastatin 7-Porcine Pancreatic Elastase Co-Crystal Structure (pdb code 4gvu). 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 Lyngbyastatin 7-Porcine Pancreatic Elastase Co-Crystal Structure, PDB code: 4gvu:

Calcium binding site 1 out of 1 in the Lyngbyastatin 7-Porcine Pancreatic Elastase Co-Crystal Structure


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Lyngbyastatin 7-Porcine Pancreatic Elastase Co-Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:21.1 occ:0.50 OE1 A:GLU74 2.2 24.1 1.0 O A:ASN76 2.3 30.6 1.0 O A:GLN79 2.3 39.1 1.0 OE2 A:GLU84 2.4 30.3 1.0 O A:HOH495 2.4 34.3 1.0 O A:HOH626 2.6 32.0 1.0 CD A:GLU74 3.1 24.7 1.0 OE2 A:GLU74 3.2 25.7 1.0 C A:ASN76 3.4 27.9 1.0 C A:GLN79 3.4 46.1 1.0 CD A:GLU84 3.4 28.3 1.0 CG A:GLU84 3.8 24.7 1.0 N A:ASN76 3.9 26.4 1.0 CA A:ASN80 3.9 46.4 1.0 CA A:ASN76 4.1 28.2 1.0 N A:ASN80 4.1 44.5 1.0 N A:ASN81 4.1 44.0 1.0 O A:HOH582 4.3 45.3 1.0 ND2 A:ASN81 4.4 39.7 1.0 N A:LEU77 4.4 28.5 1.0 CB A:ASN76 4.4 33.3 1.0 N A:GLN79 4.5 48.9 1.0 CG A:GLU74 4.5 23.1 1.0 N A:HIS75 4.5 22.3 1.0 CA A:GLN79 4.5 48.0 1.0 C A:ASN80 4.5 48.4 1.0 OE1 A:GLU84 4.5 28.1 1.0 CA A:LEU77 4.7 29.0 1.0 CB A:ASN81 4.7 40.8 1.0 CG A:ASN81 4.7 42.4 1.0 C A:LEU77 4.8 33.3 1.0 OH A:TYR86 4.8 28.5 1.0 C A:HIS75 4.9 24.5 1.0

L.A.Salvador, K.Taori, J.S.Biggs, J.Jakoncic, D.A.Ostrov, V.J.Paul, H.Luesch. Potent Elastase Inhibitors From Cyanobacteria: Structural Basis and Mechanisms Mediating Cytoprotective and Anti-Inflammatory Effects in Bronchial Epithelial Cells. J.Med.Chem. V. 56 1276 2013.
ISSN: ISSN 0022-2623
PubMed: 23350733
DOI: 10.1021/JM3017305