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Sodium in PDB 6qen: Crystal Structure of Porcine Pancreatic Elastase (Ppe) in Complex with the 3-Oxo-Beta-Sultam Inhibitor LMC240

Enzymatic activity of Crystal Structure of Porcine Pancreatic Elastase (Ppe) in Complex with the 3-Oxo-Beta-Sultam Inhibitor LMC240

All present enzymatic activity of Crystal Structure of Porcine Pancreatic Elastase (Ppe) in Complex with the 3-Oxo-Beta-Sultam Inhibitor LMC240:
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 LMC240, PDB code: 6qen 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) 34.05 / 1.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.127, 57.710, 74.646, 90.00, 90.00, 90.00
R / Rfree (%) 14.2 / 17.4

Other elements in 6qen:

The structure of Crystal Structure of Porcine Pancreatic Elastase (Ppe) in Complex with the 3-Oxo-Beta-Sultam Inhibitor LMC240 also contains other interesting chemical elements:

Bromine (Br) 1 atom

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 LMC240 (pdb code 6qen). 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 LMC240, PDB code: 6qen:

Sodium binding site 1 out of 1 in 6qen

Go back to Sodium Binding Sites List in 6qen
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 LMC240


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 LMC240 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1005

b:32.9
occ:1.00
 O A:GLN75 2.1 43.6 1.0
OE1 A:GLU70 2.3 25.3 1.0
O A:ASN72 2.3 27.4 1.0
O A:HOH1102 2.3 34.0 1.0
O A:HOH1105 2.4 34.4 1.0
OE2 A:GLU80 2.4 35.8 1.0
CD A:GLU70 3.1 25.5 1.0
C A:GLN75 3.2 44.7 1.0
OE2 A:GLU70 3.3 27.2 1.0
C A:ASN72 3.4 26.9 1.0
CD A:GLU80 3.5 34.6 1.0
CG A:GLU80 3.9 31.9 1.0
CA A:ASN76 3.9 46.3 1.0
N A:ASN72 3.9 24.9 1.0
N A:ASN76 4.0 45.9 1.0
CA A:ASN72 4.1 26.0 1.0
N A:GLN75 4.1 43.6 1.0
N A:ASP77 4.2 41.8 1.0
OD2 A:ASP77 4.2 45.3 1.0
CA A:GLN75 4.3 45.6 1.0
CB A:ASN72 4.3 28.8 1.0
N A:LEU73 4.4 25.8 1.0
C A:ASN76 4.5 44.8 1.0
N A:HIS71 4.5 23.3 1.0
CG A:GLU70 4.5 24.0 1.0
CA A:LEU73 4.5 27.7 1.0
OE1 A:GLU80 4.5 34.6 1.0
C A:LEU73 4.6 33.1 1.0
CG A:ASP77 4.7 45.9 1.0
OH A:TYR82 4.8 34.8 1.0
O A:LEU73 4.8 33.9 1.0
C A:HIS71 5.0 23.1 1.0
N A:ASN74 5.0 36.6 1.0
CB A:ASP77 5.0 44.3 1.0

Reference:

L.A.R.Carvalho, V.T.Almeida, J.A.Brito, K.Lum, L.M.Goncalves, S.D.L.Lucas, M.Archer, B.Cravatt, R.Moreira. 3-Oxo-Beta-Sultams As A Versatile Sulfonylating Chemotype For Activity-Based Profiling of Serine Hydrolases To Be Published.
Page generated: Tue Oct 8 12:53:20 2024

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