Sodium in PDB 2v35: Porcine Pancreatic Elastase in Complex with Inhibitor JM54

All present enzymatic activity of Porcine Pancreatic Elastase in Complex with Inhibitor JM54:
3.4.21.36;

The structure of Porcine Pancreatic Elastase in Complex with Inhibitor JM54, PDB code: 2v35 was solved by T.F.Oliveira, J.Mulchande, L.Martins, R.Moreira, J.Iley, M.Archer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.84 / 1.67
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.246, 57.938, 74.688, 90.00, 90.00, 90.00
R / Rfree (%)	15.6 / 18.6

The binding sites of Sodium atom in the Porcine Pancreatic Elastase in Complex with Inhibitor JM54 (pdb code 2v35). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Porcine Pancreatic Elastase in Complex with Inhibitor JM54, PDB code: 2v35:

Sodium binding site 1 out of 1 in the Porcine Pancreatic Elastase in Complex with Inhibitor JM54


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Porcine Pancreatic Elastase in Complex with Inhibitor JM54 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1247 b:7.4 occ:1.00 O A:ASN72 2.3 9.8 1.0 OE1 A:GLU70 2.3 10.7 1.0 OE2 A:GLU80 2.4 8.1 1.0 O A:GLN75 2.4 13.5 1.0 OD2 A:ASP77 2.5 8.8 1.0 O A:HOH2089 2.7 24.7 1.0 CD A:GLU70 3.3 10.2 1.0 CG A:ASP77 3.4 10.9 1.0 CD A:GLU80 3.4 9.7 1.0 C A:ASN72 3.4 9.0 1.0 C A:GLN75 3.6 14.7 1.0 OE2 A:GLU70 3.7 13.2 1.0 N A:ASP77 3.8 11.5 1.0 CG A:GLU80 3.8 8.2 1.0 N A:ASN72 3.9 7.8 1.0 CB A:ASP77 4.0 10.7 1.0 CA A:ASN72 4.2 8.7 1.0 OD1 A:ASP77 4.3 10.9 1.0 N A:GLN75 4.3 15.4 1.0 CA A:ASN76 4.4 13.6 1.0 N A:ASN76 4.4 14.2 1.0 CB A:ASN72 4.4 9.0 1.0 C A:ASN76 4.4 12.7 1.0 N A:LEU73 4.5 9.7 1.0 OE1 A:GLU80 4.5 8.5 1.0 CA A:ASP77 4.5 11.2 1.0 N A:HIS71 4.6 6.6 1.0 CA A:GLN75 4.6 15.3 1.0 CG A:GLU70 4.6 8.2 1.0 C A:LEU73 4.6 12.0 1.0 CA A:LEU73 4.6 10.7 1.0 O A:LEU73 4.8 12.8 1.0 N A:ASN74 4.9 13.5 1.0 OH A:TYR82 4.9 15.4 1.0

J.Mulchande, L.Martins, R.Moreira, M.Archer, T.F.Oliveira, J.Iley. The Efficiency of C-4 Substituents in Activating the Beta-Lactam Scaffold Towards Serine Proteases and Hydroxide Ion. Org.Biomol.Chem. V. 5 2617 2007.
ISSN: ISSN 1477-0520
PubMed: 18019537
DOI: 10.1039/B706622H