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Bromine 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:

Sodium (Na) 1 atom

Bromine Binding Sites:

The binding sites of Bromine 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 Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Porcine Pancreatic Elastase (Ppe) in Complex with the 3-Oxo-Beta-Sultam Inhibitor LMC240, PDB code: 6qen:

Bromine binding site 1 out of 1 in 6qen

Go back to Bromine Binding Sites List in 6qen
Bromine 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 Bromine with other atoms in the Br 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:Br1001

b:38.3
occ:0.57
 BR7 A:J051001 0.0 38.3 0.6
C4 A:J051001 1.9 31.3 0.9
C5 A:J051001 2.8 29.5 0.9
C3 A:J051001 2.8 28.1 0.9
NH1 A:ARG61 3.7 52.9 1.0
OH A:TYR35 3.8 28.2 1.0
CZ A:TYR35 4.0 25.7 1.0
C6 A:J051001 4.1 26.7 0.9
C2 A:J051001 4.1 25.5 0.9
CE2 A:TYR35 4.3 24.3 1.0
CE1 A:TYR35 4.6 24.2 1.0
C1 A:J051001 4.6 23.1 0.9
CD1 A:LEU63 4.7 26.3 1.0
CZ A:ARG61 4.8 51.6 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: Thu Jul 11 02:31:40 2024

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