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Fluorine in PDB 5pam: Crystal Structure of Factor Viia in Complex with 2-[(1- Aminoisoquinolin-6-Yl)Amino]-2-(5-Ethoxy-2-Fluorophenyl)-1-(2- Phenylpyrrolidin-1-Yl)Ethanone

Enzymatic activity of Crystal Structure of Factor Viia in Complex with 2-[(1- Aminoisoquinolin-6-Yl)Amino]-2-(5-Ethoxy-2-Fluorophenyl)-1-(2- Phenylpyrrolidin-1-Yl)Ethanone

All present enzymatic activity of Crystal Structure of Factor Viia in Complex with 2-[(1- Aminoisoquinolin-6-Yl)Amino]-2-(5-Ethoxy-2-Fluorophenyl)-1-(2- Phenylpyrrolidin-1-Yl)Ethanone:
3.4.21.21;

Protein crystallography data

The structure of Crystal Structure of Factor Viia in Complex with 2-[(1- Aminoisoquinolin-6-Yl)Amino]-2-(5-Ethoxy-2-Fluorophenyl)-1-(2- Phenylpyrrolidin-1-Yl)Ethanone, PDB code: 5pam was solved by M.Stihle, A.Mayweg, S.Roever, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.63 / 1.60
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 94.740, 94.740, 116.540, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 19

Other elements in 5pam:

The structure of Crystal Structure of Factor Viia in Complex with 2-[(1- Aminoisoquinolin-6-Yl)Amino]-2-(5-Ethoxy-2-Fluorophenyl)-1-(2- Phenylpyrrolidin-1-Yl)Ethanone also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms
Calcium (Ca) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Factor Viia in Complex with 2-[(1- Aminoisoquinolin-6-Yl)Amino]-2-(5-Ethoxy-2-Fluorophenyl)-1-(2- Phenylpyrrolidin-1-Yl)Ethanone (pdb code 5pam). 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 Crystal Structure of Factor Viia in Complex with 2-[(1- Aminoisoquinolin-6-Yl)Amino]-2-(5-Ethoxy-2-Fluorophenyl)-1-(2- Phenylpyrrolidin-1-Yl)Ethanone, PDB code: 5pam:

Fluorine binding site 1 out of 1 in 5pam

Go back to Fluorine Binding Sites List in 5pam
Fluorine binding site 1 out of 1 in the Crystal Structure of Factor Viia in Complex with 2-[(1- Aminoisoquinolin-6-Yl)Amino]-2-(5-Ethoxy-2-Fluorophenyl)-1-(2- Phenylpyrrolidin-1-Yl)Ethanone


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Factor Viia in Complex with 2-[(1- Aminoisoquinolin-6-Yl)Amino]-2-(5-Ethoxy-2-Fluorophenyl)-1-(2- Phenylpyrrolidin-1-Yl)Ethanone within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F505

b:34.9
occ:1.00
 F23 B:7Z1505 0.0 34.9 1.0
C10 B:7Z1505 1.4 35.2 1.0
C18 B:7Z1505 2.3 34.9 1.0
C4 B:7Z1505 2.4 33.1 1.0
C3 B:7Z1505 2.9 28.1 1.0
C19 B:7Z1505 3.2 32.4 1.0
C16 B:7Z1505 3.5 26.3 1.0
O B:GLY425 3.5 31.2 1.0
C25 B:7Z1505 3.6 33.1 1.0
C13 B:7Z1505 3.7 31.6 1.0
C1 B:7Z1505 3.9 30.4 1.0
N2 B:7Z1505 4.0 32.9 1.0
N6 B:7Z1505 4.0 29.3 1.0
C22 B:7Z1505 4.1 33.2 1.0
C15 B:7Z1505 4.2 28.1 1.0
C9 B:7Z1505 4.4 27.4 1.0
C28 B:7Z1505 4.5 32.8 1.0
C29 B:7Z1505 4.6 37.0 1.0
C B:GLY425 4.6 26.6 1.0
N B:GLY425 4.7 22.9 1.0

Reference:

A.Mayweg, S.Roever, M.G.Rudolph. Crystal Structure of A Factor Viia Complex To Be Published.
Page generated: Thu Aug 1 12:46:03 2024

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