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Sodium in PDB 6qeo: Crystal Structure of Porcine Pancreatic Elastase (Ppe) in Complex with the 3-Oxo-Beta-Sultam Inhibitor LMC269

Enzymatic activity of Crystal Structure of Porcine Pancreatic Elastase (Ppe) in Complex with the 3-Oxo-Beta-Sultam Inhibitor LMC269

All present enzymatic activity of Crystal Structure of Porcine Pancreatic Elastase (Ppe) in Complex with the 3-Oxo-Beta-Sultam Inhibitor LMC269:
3.4.21.36;

Protein crystallography data

The structure of Crystal Structure of Porcine Pancreatic Elastase (Ppe) in Complex with the 3-Oxo-Beta-Sultam Inhibitor LMC269, PDB code: 6qeo was solved by J.A.Brito, V.T.Almeida, L.M.Carvalho, R.Moreira, M.Archer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.94 / 1.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.740, 57.714, 74.656, 90.00, 90.00, 90.00
R / Rfree (%) 13 / 16.7

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Porcine Pancreatic Elastase (Ppe) in Complex with the 3-Oxo-Beta-Sultam Inhibitor LMC269 (pdb code 6qeo). 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 Crystal Structure of Porcine Pancreatic Elastase (Ppe) in Complex with the 3-Oxo-Beta-Sultam Inhibitor LMC269, PDB code: 6qeo:

Sodium binding site 1 out of 1 in 6qeo

Go back to Sodium Binding Sites List in 6qeo
Sodium binding site 1 out of 1 in the Crystal Structure of Porcine Pancreatic Elastase (Ppe) in Complex with the 3-Oxo-Beta-Sultam Inhibitor LMC269


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Porcine Pancreatic Elastase (Ppe) in Complex with the 3-Oxo-Beta-Sultam Inhibitor LMC269 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1005

b:20.4
occ:1.00
 O A:GLN75 2.3 28.6 1.0
O A:ASN72 2.3 19.9 1.0
OE1 A:GLU70 2.3 17.6 1.0
OE2 A:GLU80 2.3 24.0 1.0
OD2 A:ASP77 2.4 24.7 1.0
O A:HOH1117 2.5 31.4 1.0
CD A:GLU70 3.2 16.5 1.0
CG A:ASP77 3.4 27.4 1.0
C A:ASN72 3.4 17.4 1.0
OE2 A:GLU70 3.4 20.2 1.0
CD A:GLU80 3.4 21.1 1.0
C A:GLN75 3.5 30.0 1.0
N A:ASP77 3.8 28.7 1.0
N A:ASN72 3.9 17.0 1.0
CG A:GLU80 3.9 19.1 1.0
CB A:ASP77 4.0 27.9 1.0
CA A:ASN72 4.1 18.5 1.0
CA A:ASN76 4.2 33.5 1.0
OD1 A:ASP77 4.2 30.1 1.0
N A:GLN75 4.3 30.0 1.0
CB A:ASN72 4.3 22.3 1.0
N A:ASN76 4.3 31.8 1.0
N A:LEU73 4.4 16.9 1.0
C A:ASN76 4.4 32.2 1.0
N A:HIS71 4.4 14.7 1.0
CA A:GLN75 4.5 33.0 1.0
OE1 A:GLU80 4.5 18.9 1.0
CA A:LEU73 4.6 18.7 1.0
CG A:GLU70 4.6 15.3 1.0
CA A:ASP77 4.6 29.0 1.0
C A:LEU73 4.6 23.3 1.0
O A:LEU73 4.8 24.9 1.0
C A:HIS71 4.9 15.4 1.0
N A:ASN74 5.0 26.1 1.0

Reference:

L.A.R.Carvalho, V.T.Almeida, J.A.Brito, K.M.Lum, T.F.Oliveira, R.C.Guedes, L.M.Goncalves, S.D.Lucas, B.F.Cravatt, M.Archer, R.Moreira. 3-Oxo-Beta-Sultam As A Sulfonylating Chemotype For Inhibition of Serine Hydrolases and Activity-Based Protein Profiling. Acs Chem.Biol. 2020.
ISSN: ESSN 1554-8937
PubMed: 32176480
DOI: 10.1021/ACSCHEMBIO.0C00090
Page generated: Tue Oct 8 12:53:20 2024

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