Fluorine in PDB 6ubo: Fluorogen Activating Protein DIB1

The structure of Fluorogen Activating Protein DIB1, PDB code: 6ubo was solved by L.Muslinkina, N.Pletneva, V.Z.Pletnev, S.Pletnev, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.73 / 1.58
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	44.843, 44.843, 158.235, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 20.3

The binding sites of Fluorine atom in the Fluorogen Activating Protein DIB1 (pdb code 6ubo). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Fluorogen Activating Protein DIB1, PDB code: 6ubo:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Fluorogen Activating Protein DIB1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Fluorogen Activating Protein DIB1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:17.7 occ:1.00 F2 A:Q3J201 0.0 17.7 1.0 B1 A:Q3J201 1.4 14.8 1.0 F1 A:Q3J201 2.4 16.8 1.0 N2 A:Q3J201 2.4 10.8 1.0 C4 A:Q3J201 2.5 12.2 1.0 C5 A:Q3J201 3.0 12.7 1.0 C9 A:Q3J201 3.1 13.7 1.0 C15 A:Q3J201 3.2 14.3 1.0 CD2 A:PHE53 3.3 17.8 1.0 CE2 A:PHE53 3.5 17.5 1.0 OE2 A:GLU54 3.5 16.6 1.0 C13 A:Q3J201 3.6 12.5 1.0 C3 A:Q3J201 3.7 11.8 1.0 CZ2 A:TRP139 3.7 11.5 1.0 CE1 A:HIS51 3.8 26.0 1.0 CD A:GLU54 3.9 18.9 1.0 ND2 A:ASN76 4.0 17.0 1.0 NE2 A:HIS51 4.0 25.9 1.0 C12 A:Q3J201 4.1 10.2 1.0 CG A:GLU54 4.2 16.3 1.0 CE2 A:TRP139 4.2 12.1 1.0 NE1 A:TRP139 4.2 13.1 1.0 N3 A:Q3J201 4.3 13.4 1.0 C6 A:Q3J201 4.4 14.0 1.0 CH2 A:TRP139 4.6 10.4 1.0 CG A:PHE53 4.6 18.3 1.0 C14 A:Q3J201 4.6 13.3 1.0 OE1 A:GLU54 4.7 16.7 1.0 CZ A:PHE53 4.8 20.7 1.0 C10 A:Q3J201 4.8 25.6 1.0 CG A:ASN76 4.9 14.7 1.0 C2 A:Q3J201 4.9 12.8 1.0 O A:HOH350 4.9 16.8 1.0

Fluorine binding site 2 out of 4 in the Fluorogen Activating Protein DIB1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Fluorogen Activating Protein DIB1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:16.8 occ:1.00 F1 A:Q3J201 0.0 16.8 1.0 B1 A:Q3J201 1.5 14.8 1.0 F2 A:Q3J201 2.4 17.7 1.0 N2 A:Q3J201 2.4 10.8 1.0 C4 A:Q3J201 2.5 12.2 1.0 ND2 A:ASN76 2.9 17.0 1.0 O A:HOH350 3.0 16.8 1.0 C9 A:Q3J201 3.1 13.7 1.0 C5 A:Q3J201 3.2 12.7 1.0 C13 A:Q3J201 3.3 12.5 1.0 C3 A:Q3J201 3.4 11.8 1.0 C15 A:Q3J201 3.5 14.3 1.0 CZ A:PHE108 3.5 17.5 1.0 CE2 A:PHE108 3.7 15.9 1.0 CG A:ASN76 3.8 14.7 1.0 C12 A:Q3J201 3.8 10.2 1.0 OD1 A:ASN76 3.8 14.5 1.0 CE2 A:PHE53 3.9 17.5 1.0 N3 A:Q3J201 4.2 13.4 1.0 C14 A:Q3J201 4.3 13.3 1.0 C6 A:Q3J201 4.5 14.0 1.0 CD2 A:PHE53 4.5 17.8 1.0 CE1 A:PHE108 4.7 17.4 1.0 C2 A:Q3J201 4.7 12.8 1.0 CZ A:PHE53 4.9 20.7 1.0 CG1 A:VAL74 4.9 15.2 1.0 CD2 A:PHE108 5.0 15.8 1.0

Fluorine binding site 3 out of 4 in the Fluorogen Activating Protein DIB1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Fluorogen Activating Protein DIB1 within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:18.8 occ:1.00 F2 B:Q3J201 0.0 18.8 1.0 B1 B:Q3J201 1.4 16.3 1.0 F1 B:Q3J201 2.3 17.5 1.0 N2 B:Q3J201 2.4 12.0 1.0 C4 B:Q3J201 2.5 14.2 1.0 C5 B:Q3J201 2.9 14.4 1.0 C9 B:Q3J201 3.1 14.4 1.0 C15 B:Q3J201 3.1 12.4 1.0 CD2 B:PHE53 3.2 19.6 1.0 CE2 B:PHE53 3.4 19.9 1.0 OE2 B:GLU54 3.6 19.2 1.0 C13 B:Q3J201 3.6 12.1 1.0 CZ2 B:TRP139 3.7 11.2 1.0 C3 B:Q3J201 3.7 12.5 1.0 CD B:GLU54 3.9 19.0 1.0 CE2 B:TRP139 4.1 11.1 1.0 ND2 B:ASN76 4.1 16.9 1.0 C12 B:Q3J201 4.1 11.2 1.0 CG B:GLU54 4.1 19.9 1.0 NE1 B:TRP139 4.1 11.4 1.0 C6 B:Q3J201 4.3 16.2 1.0 O B:HOH421 4.3 29.8 1.0 N3 B:Q3J201 4.4 12.8 1.0 CG B:PHE53 4.5 21.4 1.0 CH2 B:TRP139 4.5 11.8 1.0 C14 B:Q3J201 4.6 12.3 1.0 OE1 B:GLU54 4.7 15.0 1.0 CZ B:PHE53 4.7 20.8 1.0 C2 B:Q3J201 4.8 12.3 1.0 C10 B:Q3J201 5.0 24.1 1.0

Fluorine binding site 4 out of 4 in the Fluorogen Activating Protein DIB1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Fluorogen Activating Protein DIB1 within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:17.5 occ:1.00 F1 B:Q3J201 0.0 17.5 1.0 B1 B:Q3J201 1.4 16.3 1.0 F2 B:Q3J201 2.3 18.8 1.0 N2 B:Q3J201 2.4 12.0 1.0 C4 B:Q3J201 2.5 14.2 1.0 ND2 B:ASN76 2.8 16.9 1.0 C9 B:Q3J201 3.1 14.4 1.0 C5 B:Q3J201 3.2 14.4 1.0 O B:HOH348 3.2 14.4 1.0 C15 B:Q3J201 3.4 12.4 1.0 C13 B:Q3J201 3.4 12.1 1.0 C3 B:Q3J201 3.6 12.5 1.0 CZ B:PHE108 3.6 17.7 1.0 CE2 B:PHE53 3.6 19.9 1.0 CE1 B:PHE108 3.8 16.2 1.0 CG B:ASN76 3.8 14.7 1.0 C12 B:Q3J201 3.9 11.2 1.0 OD1 B:ASN76 4.0 16.4 1.0 CD2 B:PHE53 4.3 19.6 1.0 N3 B:Q3J201 4.3 12.8 1.0 C14 B:Q3J201 4.5 12.3 1.0 C6 B:Q3J201 4.5 16.2 1.0 CZ B:PHE53 4.6 20.8 1.0 CE2 B:PHE108 4.7 17.5 1.0 C2 B:Q3J201 4.7 12.3 1.0

L.Muslinkina, A.S.Mishin, N.G.Bozhanova, A.S.Gavrikov, M.S.Baranov, J.Meiler, N.Pletneva, V.Z.Pletnev, K.A.Lukyanov, S.Pletnev. Structure-Based Rational Design of Best in Class Fluorogen Activating Proteins Based on Bacterial Lipocalin Blc. To Be Published.