Fluorine in PDB 6b0t: Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule

The structure of Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule, PDB code: 6b0t was solved by R.Dey, X.Y.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.44 / 2.80
Space group	P 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	102.577, 59.255, 293.651, 90.00, 90.03, 90.00
R / Rfree (%)	26.5 / 30.3

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Fluorine atom in the Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule (pdb code 6b0t). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 18 binding sites of Fluorine where determined in the Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule, PDB code: 6b0t:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 18 in the Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:71.6 occ:1.00 F1 A:C7V501 0.0 71.6 1.0 C1 A:C7V501 1.3 0.8 1.0 F2 A:C7V501 2.1 0.9 1.0 F3 A:C7V501 2.1 0.2 1.0 C2 A:C7V501 2.3 73.8 1.0 HD21 A:LEU16 2.5 25.8 1.0 H201 A:C7V501 2.8 82.7 1.0 C20 A:C7V501 2.9 68.7 1.0 HD11 A:LEU16 2.9 22.7 1.0 CD2 A:LEU16 3.3 37.4 1.0 HD22 A:LEU16 3.3 25.8 1.0 C3 A:C7V501 3.4 66.5 1.0 HG22 A:VAL134 3.5 37.3 1.0 CD1 A:LEU16 3.6 37.9 1.0 H31 A:C7V501 3.6 80.1 1.0 HB2 A:TRP101 3.7 41.4 1.0 HD13 A:LEU16 3.7 22.7 1.0 HD11 A:LEU103 4.0 33.0 1.0 CG A:LEU16 4.0 36.4 1.0 HD23 A:LEU16 4.0 25.8 1.0 HG A:LEU103 4.0 49.8 1.0 HG21 A:VAL134 4.0 37.3 1.0 CG2 A:VAL134 4.0 48.6 1.0 HE1 A:PHE14 4.1 18.1 1.0 HG23 A:VAL134 4.1 37.3 1.0 HD21 A:LEU103 4.1 51.1 1.0 HB3 A:TRP101 4.2 41.4 1.0 C19 A:C7V501 4.2 67.6 1.0 HG A:LEU16 4.3 20.7 1.0 CB A:TRP101 4.3 58.8 1.0 HD12 A:LEU16 4.5 22.7 1.0 HD11 A:LEU62 4.5 38.4 1.0 HB2 A:TRP132 4.5 26.1 1.0 C4 A:C7V501 4.6 62.9 1.0 CG A:LEU103 4.6 68.3 1.0 CE1 A:PHE14 4.7 33.5 1.0 CD1 A:LEU103 4.7 65.7 1.0 CG A:TRP101 4.7 59.2 1.0 HD21 A:LEU62 4.7 39.1 1.0 H191 A:C7V501 4.8 81.4 1.0 HZ A:PHE14 4.8 30.6 1.0 CD2 A:LEU103 4.8 70.7 1.0 C5 A:C7V501 4.8 64.5 1.0 HG23 A:ILE93 4.9 29.8 1.0 HD12 A:LEU103 4.9 33.0 1.0

Fluorine binding site 2 out of 18 in the Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:0.9 occ:1.00 F2 A:C7V501 0.0 0.9 1.0 C1 A:C7V501 1.3 0.8 1.0 F1 A:C7V501 2.1 71.6 1.0 F3 A:C7V501 2.1 0.2 1.0 C2 A:C7V501 2.4 73.8 1.0 HD21 A:LEU103 2.4 51.1 1.0 H201 A:C7V501 2.8 82.7 1.0 C20 A:C7V501 2.9 68.7 1.0 HG12 A:ILE93 3.0 49.2 1.0 HG A:LEU103 3.1 49.8 1.0 CD2 A:LEU103 3.1 70.7 1.0 HD23 A:LEU103 3.3 51.1 1.0 HG23 A:ILE93 3.4 29.8 1.0 C3 A:C7V501 3.5 66.5 1.0 HD11 A:LEU103 3.5 33.0 1.0 CG A:LEU103 3.6 68.3 1.0 H31 A:C7V501 3.7 80.1 1.0 HD13 A:ILE93 3.9 54.3 1.0 CG1 A:ILE93 3.9 52.4 1.0 HD22 A:LEU103 4.0 51.1 1.0 CD1 A:LEU103 4.0 65.7 1.0 HB3 A:TRP101 4.1 41.4 1.0 CG2 A:ILE93 4.2 53.2 1.0 HD11 A:ILE93 4.2 54.3 1.0 C19 A:C7V501 4.2 67.6 1.0 HD11 A:LEU16 4.2 22.7 1.0 CD1 A:ILE93 4.2 51.1 1.0 HG21 A:ILE93 4.3 29.8 1.0 HD11 A:LEU48 4.3 42.6 1.0 HA A:ILE93 4.4 37.9 1.0 HB2 A:TRP101 4.4 41.4 1.0 HD11 A:LEU62 4.5 38.4 1.0 HG21 A:VAL60 4.5 41.6 1.0 HD21 A:LEU16 4.6 25.8 1.0 HG13 A:ILE93 4.6 49.2 1.0 CB A:ILE93 4.6 54.8 1.0 HD12 A:LEU103 4.6 33.0 1.0 C4 A:C7V501 4.6 62.9 1.0 HD13 A:LEU48 4.6 42.6 1.0 CB A:TRP101 4.7 58.8 1.0 HD21 A:LEU62 4.7 39.1 1.0 HD13 A:LEU103 4.7 33.0 1.0 H191 A:C7V501 4.8 81.4 1.0 C5 A:C7V501 4.9 64.5 1.0 CD1 A:LEU48 4.9 55.9 1.0 HA A:LEU103 4.9 43.4 1.0 O A:SER102 5.0 60.5 1.0 CB A:LEU103 5.0 69.7 1.0 HG A:LEU62 5.0 35.0 1.0 HG22 A:ILE93 5.0 29.8 1.0

Fluorine binding site 3 out of 18 in the Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:0.2 occ:1.00 F3 A:C7V501 0.0 0.2 1.0 C1 A:C7V501 1.3 0.8 1.0 F1 A:C7V501 2.1 71.6 1.0 F2 A:C7V501 2.1 0.9 1.0 C2 A:C7V501 2.4 73.8 1.0 H31 A:C7V501 2.5 80.1 1.0 HD11 A:LEU16 2.7 22.7 1.0 HD21 A:LEU62 2.7 39.1 1.0 C3 A:C7V501 2.8 66.5 1.0 HD11 A:LEU62 3.0 38.4 1.0 HD11 A:LEU103 3.2 33.0 1.0 HZ A:PHE14 3.3 30.6 1.0 HD21 A:LEU103 3.3 51.1 1.0 HD13 A:LEU48 3.4 42.6 1.0 HE1 A:PHE14 3.4 18.1 1.0 C20 A:C7V501 3.6 68.7 1.0 CD2 A:LEU62 3.7 50.9 1.0 HD11 A:LEU48 3.7 42.6 1.0 CD1 A:LEU16 3.7 37.9 1.0 HD21 A:LEU16 3.7 25.8 1.0 HG A:LEU62 3.7 35.0 1.0 CZ A:PHE14 3.8 34.6 1.0 CD1 A:LEU62 3.9 51.7 1.0 H201 A:C7V501 3.9 82.7 1.0 CE1 A:PHE14 3.9 33.5 1.0 CD1 A:LEU48 3.9 55.9 1.0 CG A:LEU62 4.0 53.1 1.0 HD13 A:LEU16 4.0 22.7 1.0 HD12 A:LEU16 4.1 22.7 1.0 HD23 A:LEU62 4.1 39.1 1.0 CD1 A:LEU103 4.1 65.7 1.0 C4 A:C7V501 4.2 62.9 1.0 CD2 A:LEU103 4.2 70.7 1.0 HG A:LEU103 4.2 49.8 1.0 HD22 A:LEU62 4.2 39.1 1.0 HD12 A:LEU48 4.4 42.6 1.0 CG A:LEU103 4.4 68.3 1.0 HD12 A:LEU62 4.4 38.4 1.0 CD2 A:LEU16 4.5 37.4 1.0 HD13 A:LEU62 4.5 38.4 1.0 CG A:LEU16 4.5 36.4 1.0 HG A:LEU16 4.5 20.7 1.0 HG12 A:ILE93 4.6 49.2 1.0 HD12 A:LEU103 4.7 33.0 1.0 HD13 A:LEU103 4.7 33.0 1.0 H41 A:C7V501 4.7 75.7 1.0 HD23 A:LEU103 4.7 51.1 1.0 HD22 A:LEU103 4.7 51.1 1.0 HG22 A:VAL134 4.7 37.3 1.0 HD22 A:LEU16 4.8 25.8 1.0 C19 A:C7V501 4.8 67.6 1.0 HD22 A:LEU48 4.8 40.2 1.0 C5 A:C7V501 5.0 64.5 1.0 HD21 A:LEU48 5.0 40.2 1.0 HD11 A:ILE93 5.0 54.3 1.0

Fluorine binding site 4 out of 18 in the Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:70.3 occ:1.00 F1 B:C7V501 0.0 70.3 1.0 C1 B:C7V501 1.3 0.8 1.0 F2 B:C7V501 2.1 0.9 1.0 F3 B:C7V501 2.1 0.2 1.0 HD21 B:LEU16 2.3 26.3 1.0 C2 B:C7V501 2.3 70.5 1.0 H201 B:C7V501 2.8 75.5 1.0 C20 B:C7V501 2.9 62.7 1.0 HD11 B:LEU16 3.0 23.2 1.0 CD2 B:LEU16 3.2 30.7 1.0 HG22 B:VAL134 3.2 37.8 1.0 HD22 B:LEU16 3.4 26.3 1.0 C3 B:C7V501 3.4 61.4 1.0 H31 B:C7V501 3.6 74.0 1.0 CD1 B:LEU16 3.7 30.6 1.0 HD23 B:LEU16 3.8 26.3 1.0 CG2 B:VAL134 3.8 29.1 1.0 HG21 B:VAL134 3.8 37.8 1.0 HG B:LEU103 3.8 50.2 1.0 HG23 B:VAL134 3.8 37.8 1.0 HB2 B:TRP101 3.9 41.9 1.0 HD13 B:LEU16 3.9 23.2 1.0 CG B:LEU16 3.9 30.6 1.0 HG B:LEU16 4.1 21.1 1.0 HE1 B:PHE14 4.1 18.6 1.0 C19 B:C7V501 4.2 67.6 1.0 HD11 B:LEU103 4.2 33.4 1.0 HB3 B:TRP101 4.2 41.9 1.0 HD21 B:LEU103 4.2 51.5 1.0 HD21 B:LEU62 4.4 39.6 1.0 HB2 B:TRP132 4.5 26.5 1.0 CB B:TRP101 4.5 41.8 1.0 HD12 B:LEU16 4.5 23.2 1.0 C4 B:C7V501 4.6 59.2 1.0 CG B:LEU103 4.6 42.0 1.0 CE1 B:PHE14 4.7 27.0 1.0 H191 B:C7V501 4.8 81.4 1.0 CD1 B:LEU103 4.8 41.0 1.0 HD11 B:LEU62 4.8 38.9 1.0 CD2 B:LEU103 4.8 44.0 1.0 HG23 B:ILE93 4.8 30.3 1.0 C5 B:C7V501 4.8 60.0 1.0 CG B:TRP101 4.9 42.6 1.0 HZ B:PHE14 4.9 31.0 1.0 HD12 B:LEU103 4.9 33.4 1.0 HG12 B:ILE93 5.0 49.7 1.0

Fluorine binding site 5 out of 18 in the Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:0.9 occ:1.00 F2 B:C7V501 0.0 0.9 1.0 C1 B:C7V501 1.3 0.8 1.0 F1 B:C7V501 2.1 70.3 1.0 F3 B:C7V501 2.1 0.2 1.0 C2 B:C7V501 2.4 70.5 1.0 HD21 B:LEU103 2.5 51.5 1.0 H201 B:C7V501 2.8 75.5 1.0 C20 B:C7V501 2.9 62.7 1.0 HG B:LEU103 3.0 50.2 1.0 HG12 B:ILE93 3.0 49.7 1.0 CD2 B:LEU103 3.1 44.0 1.0 HD23 B:LEU103 3.2 51.5 1.0 C3 B:C7V501 3.5 61.4 1.0 CG B:LEU103 3.5 42.0 1.0 HD11 B:LEU103 3.6 33.4 1.0 HD11 B:LEU62 3.6 38.9 1.0 HG23 B:ILE93 3.6 30.3 1.0 H31 B:C7V501 3.7 74.0 1.0 HD13 B:ILE93 3.9 54.8 1.0 CG1 B:ILE93 3.9 40.9 1.0 HD22 B:LEU103 4.0 51.5 1.0 HD11 B:ILE93 4.0 54.8 1.0 HD11 B:LEU16 4.1 23.2 1.0 CD1 B:LEU103 4.1 41.0 1.0 CD1 B:ILE93 4.2 40.5 1.0 C19 B:C7V501 4.2 67.6 1.0 HD11 B:LEU48 4.3 43.1 1.0 HD21 B:LEU16 4.3 26.3 1.0 HD21 B:LEU62 4.3 39.6 1.0 HB3 B:TRP101 4.4 41.9 1.0 CG2 B:ILE93 4.4 38.7 1.0 HD13 B:LEU48 4.4 43.1 1.0 HG21 B:ILE93 4.4 30.3 1.0 HA B:ILE93 4.5 38.4 1.0 HG13 B:ILE93 4.5 49.7 1.0 HG21 B:VAL60 4.5 42.1 1.0 CD1 B:LEU62 4.6 38.3 1.0 C4 B:C7V501 4.6 59.2 1.0 HD12 B:LEU103 4.6 33.4 1.0 CB B:ILE93 4.7 41.3 1.0 HA B:LEU103 4.7 43.8 1.0 HB2 B:TRP101 4.8 41.9 1.0 H191 B:C7V501 4.8 81.4 1.0 HD13 B:LEU103 4.8 33.4 1.0 CD1 B:LEU48 4.8 39.4 1.0 HD13 B:LEU62 4.8 38.9 1.0 CB B:LEU103 4.8 41.9 1.0 C5 B:C7V501 4.9 60.0 1.0 HD21 B:LEU48 5.0 40.6 1.0 CD1 B:LEU16 5.0 30.6 1.0 CB B:TRP101 5.0 41.8 1.0

Fluorine binding site 6 out of 18 in the Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:0.2 occ:1.00 F3 B:C7V501 0.0 0.2 1.0 C1 B:C7V501 1.3 0.8 1.0 F1 B:C7V501 2.1 70.3 1.0 F2 B:C7V501 2.1 0.9 1.0 C2 B:C7V501 2.4 70.5 1.0 H31 B:C7V501 2.5 74.0 1.0 HD11 B:LEU16 2.7 23.2 1.0 C3 B:C7V501 2.8 61.4 1.0 HD21 B:LEU62 2.8 39.6 1.0 HD11 B:LEU62 3.0 38.9 1.0 HE1 B:PHE14 3.1 18.6 1.0 HZ B:PHE14 3.1 31.0 1.0 HD13 B:LEU48 3.3 43.1 1.0 HD21 B:LEU103 3.5 51.5 1.0 HD21 B:LEU16 3.5 26.3 1.0 HD11 B:LEU103 3.5 33.4 1.0 CE1 B:PHE14 3.6 27.0 1.0 CZ B:PHE14 3.6 27.9 1.0 C20 B:C7V501 3.6 62.7 1.0 CD1 B:LEU16 3.6 30.6 1.0 CD2 B:LEU62 3.7 37.1 1.0 HD11 B:LEU48 3.8 43.1 1.0 CD1 B:LEU62 3.9 38.3 1.0 H201 B:C7V501 3.9 75.5 1.0 HG B:LEU62 3.9 35.5 1.0 CD1 B:LEU48 4.0 39.4 1.0 HD12 B:LEU16 4.1 23.2 1.0 CG B:LEU62 4.1 37.6 1.0 HD13 B:LEU16 4.1 23.2 1.0 HG B:LEU103 4.2 50.2 1.0 C4 B:C7V501 4.2 59.2 1.0 HG B:LEU16 4.2 21.1 1.0 HD23 B:LEU62 4.3 39.6 1.0 HD22 B:LEU62 4.3 39.6 1.0 CD2 B:LEU16 4.3 30.7 1.0 CG B:LEU16 4.3 30.6 1.0 HG22 B:VAL134 4.3 37.8 1.0 CD2 B:LEU103 4.4 44.0 1.0 CD1 B:LEU103 4.4 41.0 1.0 HD13 B:LEU62 4.4 38.9 1.0 HD12 B:LEU48 4.5 43.1 1.0 HD12 B:LEU62 4.5 38.9 1.0 CG B:LEU103 4.5 42.0 1.0 HD22 B:LEU48 4.6 40.6 1.0 H41 B:C7V501 4.7 71.3 1.0 HD22 B:LEU16 4.7 26.3 1.0 HG12 B:ILE93 4.7 49.7 1.0 CD1 B:PHE14 4.8 27.6 1.0 CE2 B:PHE14 4.8 28.4 1.0 C19 B:C7V501 4.8 67.6 1.0 HD23 B:LEU103 4.8 51.5 1.0 HG21 B:VAL134 4.8 37.8 1.0 HD12 B:LEU103 4.9 33.4 1.0 HD11 B:ILE93 4.9 54.8 1.0 HD21 B:LEU48 4.9 40.6 1.0 C5 B:C7V501 5.0 60.0 1.0 HD22 B:LEU103 5.0 51.5 1.0

Fluorine binding site 7 out of 18 in the Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule within 5.0Å range: probe atom residue distance (Å) B Occ C:F501 b:76.8 occ:1.00 F1 C:C7V501 0.0 76.8 1.0 C1 C:C7V501 1.3 0.8 1.0 F2 C:C7V501 2.1 0.9 1.0 F3 C:C7V501 2.1 0.2 1.0 C2 C:C7V501 2.3 75.1 1.0 HD21 C:LEU16 2.6 26.3 1.0 H201 C:C7V501 2.8 85.4 1.0 C20 C:C7V501 2.9 70.9 1.0 HD22 C:LEU16 3.2 26.3 1.0 CD2 C:LEU16 3.3 37.9 1.0 C3 C:C7V501 3.4 69.1 1.0 HG C:LEU103 3.5 50.2 1.0 HB2 C:TRP101 3.5 41.9 1.0 HG22 C:VAL134 3.5 37.8 1.0 HB3 C:TRP101 3.5 41.9 1.0 H31 C:C7V501 3.6 83.2 1.0 HD11 C:LEU16 3.8 23.2 1.0 HG21 C:VAL134 3.8 37.8 1.0 HD21 C:LEU103 3.9 51.5 1.0 HG23 C:VAL134 3.9 37.8 1.0 HD23 C:LEU16 3.9 26.3 1.0 CG2 C:VAL134 3.9 55.5 1.0 CB C:TRP101 3.9 74.3 1.0 HD11 C:LEU103 4.0 33.4 1.0 C19 C:C7V501 4.2 67.6 1.0 HD13 C:LEU16 4.2 23.2 1.0 CG C:LEU103 4.2 60.9 1.0 HB2 C:TRP132 4.3 26.5 1.0 CD1 C:LEU16 4.3 38.5 1.0 CG C:TRP101 4.4 75.3 1.0 CD2 C:LEU103 4.4 62.8 1.0 CG C:LEU16 4.4 37.5 1.0 HG23 C:ILE93 4.5 30.3 1.0 HD21 C:LEU62 4.5 39.6 1.0 HD23 C:LEU103 4.5 51.5 1.0 C4 C:C7V501 4.6 64.6 1.0 CD1 C:LEU103 4.6 59.1 1.0 HE1 C:PHE14 4.6 18.6 1.0 HG12 C:ILE93 4.7 49.7 1.0 H191 C:C7V501 4.8 81.4 1.0 HD12 C:LEU103 4.8 33.4 1.0 HG C:LEU16 4.8 21.1 1.0 C5 C:C7V501 4.8 65.6 1.0 HD11 C:LEU62 4.9 38.9 1.0 CD1 C:TRP101 4.9 77.4 1.0 CD2 C:TRP101 5.0 74.2 1.0

Fluorine binding site 8 out of 18 in the Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule within 5.0Å range: probe atom residue distance (Å) B Occ C:F501 b:0.9 occ:1.00 F2 C:C7V501 0.0 0.9 1.0 C1 C:C7V501 1.3 0.8 1.0 F1 C:C7V501 2.1 76.8 1.0 F3 C:C7V501 2.1 0.2 1.0 C2 C:C7V501 2.4 75.1 1.0 HD21 C:LEU103 2.5 51.5 1.0 HG12 C:ILE93 2.7 49.7 1.0 H201 C:C7V501 2.8 85.4 1.0 HD23 C:LEU103 2.8 51.5 1.0 HG C:LEU103 2.9 50.2 1.0 C20 C:C7V501 2.9 70.9 1.0 CD2 C:LEU103 3.0 62.8 1.0 HG23 C:ILE93 3.1 30.3 1.0 CG C:LEU103 3.4 60.9 1.0 C3 C:C7V501 3.5 69.1 1.0 CG1 C:ILE93 3.6 54.8 1.0 H31 C:C7V501 3.7 83.2 1.0 HA C:ILE93 3.7 38.4 1.0 HB3 C:TRP101 3.8 41.9 1.0 HD22 C:LEU103 3.9 51.5 1.0 HD11 C:LEU103 3.9 33.4 1.0 CG2 C:ILE93 4.0 54.8 1.0 HD13 C:ILE93 4.0 54.8 1.0 HD11 C:LEU62 4.2 38.9 1.0 CD1 C:ILE93 4.2 53.7 1.0 C19 C:C7V501 4.2 67.6 1.0 CB C:ILE93 4.2 56.5 1.0 HG13 C:ILE93 4.2 49.7 1.0 HG21 C:ILE93 4.2 30.3 1.0 HD11 C:ILE93 4.2 54.8 1.0 HA C:LEU103 4.3 43.8 1.0 CD1 C:LEU103 4.3 59.1 1.0 CA C:ILE93 4.5 56.5 1.0 O C:SER102 4.5 54.5 1.0 CB C:TRP101 4.6 74.3 1.0 HB2 C:TRP101 4.6 41.9 1.0 HD21 C:LEU16 4.6 26.3 1.0 HG21 C:VAL60 4.6 42.1 1.0 C4 C:C7V501 4.6 64.6 1.0 CB C:LEU103 4.7 60.8 1.0 HD1 C:TRP101 4.7 39.1 1.0 HD11 C:LEU48 4.7 43.1 1.0 HG22 C:ILE93 4.7 30.3 1.0 H C:VAL94 4.7 41.5 1.0 CA C:LEU103 4.8 62.3 1.0 C C:SER102 4.8 52.4 1.0 H191 C:C7V501 4.8 81.4 1.0 HD12 C:LEU103 4.8 33.4 1.0 N C:LEU103 4.9 61.6 1.0 HD21 C:LEU62 4.9 39.6 1.0 C5 C:C7V501 4.9 65.6 1.0 CG C:TRP101 4.9 75.3 1.0 CD1 C:TRP101 4.9 77.4 1.0 HD13 C:LEU103 5.0 33.4 1.0 H C:SER102 5.0 19.9 1.0 HD11 C:LEU16 5.0 23.2 1.0

Fluorine binding site 9 out of 18 in the Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule within 5.0Å range: probe atom residue distance (Å) B Occ C:F501 b:0.2 occ:1.00 F3 C:C7V501 0.0 0.2 1.0 C1 C:C7V501 1.3 0.8 1.0 F1 C:C7V501 2.1 76.8 1.0 F2 C:C7V501 2.1 0.9 1.0 C2 C:C7V501 2.4 75.1 1.0 H31 C:C7V501 2.5 83.2 1.0 HD21 C:LEU103 2.6 51.5 1.0 C3 C:C7V501 2.8 69.1 1.0 HD11 C:LEU62 2.9 38.9 1.0 HD21 C:LEU62 2.9 39.6 1.0 HD11 C:LEU103 3.0 33.4 1.0 HD11 C:LEU16 3.2 23.2 1.0 HD21 C:LEU16 3.3 26.3 1.0 HG C:LEU103 3.4 50.2 1.0 CD2 C:LEU103 3.5 62.8 1.0 C20 C:C7V501 3.6 70.9 1.0 HD11 C:LEU48 3.7 43.1 1.0 HD13 C:LEU48 3.7 43.1 1.0 CG C:LEU103 3.8 60.9 1.0 CD1 C:LEU103 3.8 59.1 1.0 CD1 C:LEU62 3.8 48.0 1.0 CD2 C:LEU62 3.8 46.1 1.0 HD23 C:LEU103 3.9 51.5 1.0 HE1 C:PHE14 3.9 18.6 1.0 H201 C:C7V501 3.9 85.4 1.0 HZ C:PHE14 4.0 31.0 1.0 CD1 C:LEU16 4.1 38.5 1.0 HG C:LEU62 4.1 35.5 1.0 CD1 C:LEU48 4.1 49.1 1.0 HD22 C:LEU103 4.2 51.5 1.0 C4 C:C7V501 4.2 64.6 1.0 CD2 C:LEU16 4.2 37.9 1.0 HG12 C:ILE93 4.2 49.7 1.0 CG C:LEU62 4.2 46.2 1.0 HD13 C:LEU16 4.2 23.2 1.0 HD13 C:LEU62 4.2 38.9 1.0 HD22 C:LEU62 4.3 39.6 1.0 HD22 C:LEU16 4.3 26.3 1.0 HD12 C:LEU103 4.4 33.4 1.0 HD12 C:LEU62 4.4 38.9 1.0 HD23 C:LEU62 4.4 39.6 1.0 HD13 C:LEU103 4.4 33.4 1.0 CE1 C:PHE14 4.5 36.0 1.0 CZ C:PHE14 4.5 37.2 1.0 CG C:LEU16 4.7 37.5 1.0 HD12 C:LEU48 4.7 43.1 1.0 HG22 C:VAL134 4.7 37.8 1.0 H41 C:C7V501 4.7 77.8 1.0 HD21 C:LEU48 4.7 40.6 1.0 HD12 C:LEU16 4.8 23.2 1.0 C19 C:C7V501 4.8 67.6 1.0 HD22 C:LEU48 4.8 40.6 1.0 HG C:LEU16 4.8 21.1 1.0 HG21 C:VAL60 4.9 42.1 1.0 HD11 C:ILE93 4.9 54.8 1.0 HD23 C:LEU16 4.9 26.3 1.0 HG21 C:VAL134 4.9 37.8 1.0 C5 C:C7V501 5.0 65.6 1.0

Fluorine binding site 10 out of 18 in the Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small Molecule within 5.0Å range: probe atom residue distance (Å) B Occ D:F501 b:74.6 occ:1.00 F1 D:C7V501 0.0 74.6 1.0 C1 D:C7V501 1.3 0.8 1.0 HD21 D:LEU16 2.1 26.6 1.0 F2 D:C7V501 2.1 0.9 1.0 F3 D:C7V501 2.1 0.2 1.0 C2 D:C7V501 2.3 76.0 1.0 H201 D:C7V501 2.8 87.1 1.0 C20 D:C7V501 2.9 72.4 1.0 CD2 D:LEU16 3.0 37.5 1.0 HG22 D:VAL134 3.0 38.1 1.0 HD22 D:LEU16 3.0 26.6 1.0 HD11 D:LEU16 3.0 23.5 1.0 C3 D:C7V501 3.4 67.2 1.0 HG21 D:VAL134 3.4 38.1 1.0 CG2 D:VAL134 3.5 50.8 1.0 HB2 D:TRP101 3.6 42.2 1.0 HD23 D:LEU16 3.6 26.6 1.0 HG23 D:VAL134 3.6 38.1 1.0 H31 D:C7V501 3.6 80.9 1.0 CD1 D:LEU16 3.7 39.2 1.0 HD13 D:LEU16 3.8 23.5 1.0 CG D:LEU16 3.9 36.9 1.0 HB3 D:TRP101 3.9 42.2 1.0 HE1 D:PHE14 4.1 18.9 1.0 HG D:LEU16 4.1 21.4 1.0 CB D:TRP101 4.1 72.6 1.0 HG D:LEU103 4.2 50.5 1.0 C19 D:C7V501 4.2 67.6 1.0 HD21 D:LEU62 4.3 39.9 1.0 HD21 D:LEU103 4.4 51.9 1.0 HD11 D:LEU103 4.4 33.7 1.0 HB2 D:TRP132 4.5 26.8 1.0 CG D:TRP101 4.5 72.8 1.0 C4 D:C7V501 4.6 63.3 1.0 HD12 D:LEU16 4.6 23.5 1.0 CE1 D:PHE14 4.7 36.8 1.0 H191 D:C7V501 4.8 81.4 1.0 HD11 D:LEU62 4.8 39.2 1.0 HG23 D:ILE93 4.8 30.6 1.0 C5 D:C7V501 4.8 64.7 1.0 CG D:LEU103 4.9 65.8 1.0 CB D:VAL134 5.0 48.6 1.0 CD2 D:TRP101 5.0 70.6 1.0

J.Huang, R.Dey, Y.Wang, J.Jakoncic, I.Kurinov, X.Y.Huang. Structural Insights Into the Induced-Fit Inhibition of Fascin By A Small-Molecule Inhibitor. J. Mol. Biol. V. 430 1324 2018.
ISSN: ESSN 1089-8638
PubMed: 29573988
DOI: 10.1016/J.JMB.2018.03.009