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Fluorine in PDB 4bcd: Prolyl Oligopeptidase From Porcine Brain with A Non- Covalently Bound P2-Substituted N-Acyl-Prolylpyrrolidine Inhibitor

Enzymatic activity of Prolyl Oligopeptidase From Porcine Brain with A Non- Covalently Bound P2-Substituted N-Acyl-Prolylpyrrolidine Inhibitor

All present enzymatic activity of Prolyl Oligopeptidase From Porcine Brain with A Non- Covalently Bound P2-Substituted N-Acyl-Prolylpyrrolidine Inhibitor:
3.4.21.26;

Protein crystallography data

The structure of Prolyl Oligopeptidase From Porcine Brain with A Non- Covalently Bound P2-Substituted N-Acyl-Prolylpyrrolidine Inhibitor, PDB code: 4bcd was solved by P.Vanderveken, V.Fulop, D.Rea, M.Gerard, R.Vanelzen, J.Joossens, J.D.Cheng, V.Baekelandt, I.Demeester, A.M.Lambeir, K.Augustyns, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.47 / 1.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 70.760, 99.210, 110.950, 90.00, 90.00, 90.00
R / Rfree (%) 15.83 / 18.581

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Prolyl Oligopeptidase From Porcine Brain with A Non- Covalently Bound P2-Substituted N-Acyl-Prolylpyrrolidine Inhibitor (pdb code 4bcd). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Prolyl Oligopeptidase From Porcine Brain with A Non- Covalently Bound P2-Substituted N-Acyl-Prolylpyrrolidine Inhibitor, PDB code: 4bcd:

Fluorine binding site 1 out of 1 in 4bcd

Go back to Fluorine Binding Sites List in 4bcd
Fluorine binding site 1 out of 1 in the Prolyl Oligopeptidase From Porcine Brain with A Non- Covalently Bound P2-Substituted N-Acyl-Prolylpyrrolidine Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Prolyl Oligopeptidase From Porcine Brain with A Non- Covalently Bound P2-Substituted N-Acyl-Prolylpyrrolidine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F791

b:69.7
occ:1.00
F35 A:TDV791 0.0 69.7 1.0
C32 A:TDV791 1.3 59.2 1.0
C31 A:TDV791 2.4 53.2 1.0
C33 A:TDV791 2.4 57.8 1.0
C30 A:TDV791 3.6 46.0 1.0
C34 A:TDV791 3.7 50.1 1.0
C29 A:TDV791 4.2 42.7 1.0
O A:HOH2862 4.9 34.2 1.0

Reference:

P.Van Der Veken, V.Fulop, D.Rea, M.Gerard, R.Van Elzen, J.Joossens, J.D.Cheng, V.Baekelandt, I.De Meester, A.M.Lambeir, K.Augustyns. P2-Substituted N-Acylprolylpyrrolidine Inhibitors of Prolyl Oligopeptidase: Biochemical Evaluation, Binding Mode Determination, and Assessment in A Cellular Model of Synucleinopathy. J.Med.Chem. V. 55 9856 2012.
ISSN: ISSN 0022-2623
PubMed: 23121075
DOI: 10.1021/JM301060G
Page generated: Sun Dec 13 11:59:18 2020

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