Fluorine in PDB 4y59: Crystal Structure of ALIS1-Streptavidin Complex

The structure of Crystal Structure of ALIS1-Streptavidin Complex, PDB code: 4y59 was solved by S.Sugiyama, T.Terai, M.Kohno, H.Ishida, T.Nagano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.22
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.843, 84.353, 46.156, 90.00, 98.92, 90.00
R / Rfree (%)	12.5 / 15.5

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of ALIS1-Streptavidin Complex (pdb code 4y59). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Crystal Structure of ALIS1-Streptavidin Complex, PDB code: 4y59:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in the Crystal Structure of ALIS1-Streptavidin Complex


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 ALIS1-Streptavidin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F200 b:34.8 occ:1.00 F3 A:T21200 0.0 34.8 1.0 C14 A:T21200 1.3 31.2 1.0 F1 A:T21200 2.2 34.5 1.0 F2 A:T21200 2.2 39.9 1.0 C12 A:T21200 2.3 24.7 1.0 C11 A:T21200 2.7 27.0 1.0 N A:ASN49 3.2 21.5 0.8 CB A:ASN49 3.2 23.0 0.8 CB A:ALA86 3.4 13.4 1.0 C13 A:T21200 3.6 26.0 1.0 CA A:ASN49 3.7 21.3 0.8 O A:ASN49 3.7 22.1 0.8 C10 A:T21200 4.1 28.5 1.0 C A:ASN49 4.1 20.5 0.8 C A:GLY48 4.3 20.3 0.8 CG A:ASN49 4.4 24.7 0.8 OG A:SER88 4.4 11.5 0.5 CA A:GLY48 4.5 21.4 0.8 ND2 A:ASN49 4.6 30.8 0.8 C8 A:T21200 4.7 22.4 1.0 CA A:ALA86 4.8 12.8 1.0 C9 A:T21200 4.9 28.2 1.0

Fluorine binding site 2 out of 12 in the Crystal Structure of ALIS1-Streptavidin Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of ALIS1-Streptavidin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F200 b:34.5 occ:1.00 F1 A:T21200 0.0 34.5 1.0 C14 A:T21200 1.3 31.2 1.0 F2 A:T21200 2.2 39.9 1.0 F3 A:T21200 2.2 34.8 1.0 C12 A:T21200 2.3 24.7 1.0 OG A:SER88 2.6 11.5 0.5 C13 A:T21200 3.1 26.0 1.0 C11 A:T21200 3.2 27.0 1.0 CB A:SER88 3.4 9.7 0.5 CB A:ALA86 3.5 13.4 1.0 OG A:SER88 3.5 10.9 0.5 CB A:SER88 3.7 10.0 0.5 CD1 A:TRP79 3.8 10.3 1.0 CD1 A:LEU110 4.0 10.4 0.5 CD1 A:LEU110 4.1 11.4 0.5 CG A:TRP79 4.1 9.8 1.0 CB A:TRP79 4.3 9.6 1.0 C8 A:T21200 4.4 22.4 1.0 C10 A:T21200 4.4 28.5 1.0 CD2 A:LEU110 4.4 12.8 0.5 NE1 A:TRP79 4.4 10.3 1.0 CD2 A:LEU110 4.5 9.1 0.5 O A:ALA86 4.7 13.0 1.0 CG A:LEU110 4.7 9.2 0.5 CG A:LEU110 4.8 10.6 0.5 CA A:SER88 4.8 9.2 0.5 CA A:ALA86 4.8 12.8 1.0 CD2 A:TRP79 4.9 10.5 1.0 C9 A:T21200 4.9 28.2 1.0 O A:ASN49 4.9 22.1 0.8 CA A:SER88 5.0 9.3 0.5 C A:ALA86 5.0 11.4 1.0

Fluorine binding site 3 out of 12 in the Crystal Structure of ALIS1-Streptavidin Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of ALIS1-Streptavidin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F200 b:39.9 occ:1.00 F2 A:T21200 0.0 39.9 1.0 C14 A:T21200 1.3 31.2 1.0 F1 A:T21200 2.2 34.5 1.0 F3 A:T21200 2.2 34.8 1.0 C12 A:T21200 2.3 24.7 1.0 C13 A:T21200 2.7 26.0 1.0 C11 A:T21200 3.5 27.0 1.0 CD2 A:LEU110 3.8 12.8 0.5 CD1 A:LEU110 3.8 10.4 0.5 CH2 D:TRP120 3.9 19.4 1.0 C8 A:T21200 4.1 22.4 1.0 N A:ASN49 4.5 21.5 0.8 CZ3 D:TRP120 4.5 18.9 1.0 OG A:SER88 4.6 11.5 0.5 CD1 A:LEU110 4.6 11.4 0.5 C10 A:T21200 4.7 28.5 1.0 CD2 A:LEU110 4.7 9.1 0.5 CA A:GLY48 4.7 21.4 0.8 CG A:LEU110 4.7 10.6 0.5 CG A:LEU110 4.8 9.2 0.5 C9 A:T21200 4.9 28.2 1.0

Fluorine binding site 4 out of 12 in the Crystal Structure of ALIS1-Streptavidin Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of ALIS1-Streptavidin Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F200 b:28.0 occ:0.80 F3 B:T21200 0.0 28.0 0.8 C14 B:T21200 1.3 22.3 0.8 F1 B:T21200 2.2 27.4 0.8 F2 B:T21200 2.2 25.4 0.8 C12 B:T21200 2.3 19.0 0.8 C11 B:T21200 2.7 20.6 0.8 CB B:ALA86 3.2 13.4 1.0 O B:HOH326 3.5 33.9 1.0 C13 B:T21200 3.6 18.6 0.8 C10 B:T21200 4.0 24.7 0.8 OG B:SER88 4.4 15.6 0.5 O B:HOH325 4.4 25.2 1.0 CA B:ALA86 4.6 13.1 1.0 C8 B:T21200 4.7 19.3 0.8 C9 B:T21200 4.9 19.6 0.8 OG B:SER88 5.0 9.8 0.5

Fluorine binding site 5 out of 12 in the Crystal Structure of ALIS1-Streptavidin Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of ALIS1-Streptavidin Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F200 b:27.4 occ:0.80 F1 B:T21200 0.0 27.4 0.8 C14 B:T21200 1.3 22.3 0.8 F3 B:T21200 2.2 28.0 0.8 F2 B:T21200 2.2 25.4 0.8 C12 B:T21200 2.3 19.0 0.8 OG B:SER88 2.6 15.6 0.5 C13 B:T21200 3.1 18.6 0.8 C11 B:T21200 3.2 20.6 0.8 CB B:SER88 3.4 9.9 0.5 CB B:ALA86 3.4 13.4 1.0 CD1 B:TRP79 3.5 10.5 1.0 OG B:SER88 3.6 9.8 0.5 CG B:TRP79 3.7 10.2 1.0 CB B:SER88 3.8 11.4 0.5 CB B:TRP79 3.9 10.0 1.0 CD1 B:LEU110 4.1 12.6 0.5 CD1 B:LEU110 4.1 10.0 0.5 NE1 B:TRP79 4.1 10.4 1.0 C8 B:T21200 4.3 19.3 0.8 C10 B:T21200 4.4 24.7 0.8 CD2 B:TRP79 4.5 10.2 1.0 CD2 B:LEU110 4.6 9.0 0.5 CD2 B:LEU110 4.6 13.8 0.5 O B:ALA86 4.7 13.9 1.0 CA B:SER88 4.7 9.5 0.5 CE2 B:TRP79 4.8 9.9 1.0 CG B:LEU110 4.8 8.6 0.5 CA B:ALA86 4.8 13.1 1.0 C9 B:T21200 4.9 19.6 0.8 CG B:LEU110 4.9 12.2 0.5 CA B:SER88 4.9 10.3 0.5

Fluorine binding site 6 out of 12 in the Crystal Structure of ALIS1-Streptavidin Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of ALIS1-Streptavidin Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F200 b:25.4 occ:0.80 F2 B:T21200 0.0 25.4 0.8 C14 B:T21200 1.3 22.3 0.8 F3 B:T21200 2.2 28.0 0.8 F1 B:T21200 2.2 27.4 0.8 C12 B:T21200 2.3 19.0 0.8 C13 B:T21200 2.8 18.6 0.8 C11 B:T21200 3.5 20.6 0.8 CD1 B:LEU110 3.8 10.0 0.5 CH2 C:TRP120 4.0 31.7 1.0 CD2 B:LEU110 4.0 13.8 0.5 C8 B:T21200 4.1 19.3 0.8 OG B:SER88 4.4 15.6 0.5 CZ3 C:TRP120 4.6 32.7 1.0 C10 B:T21200 4.6 24.7 0.8 CD1 B:LEU110 4.7 12.6 0.5 CD2 B:LEU110 4.7 9.0 0.5 CG B:LEU110 4.8 12.2 0.5 C9 B:T21200 4.9 19.6 0.8 CB B:ALA86 4.9 13.4 1.0 OG B:SER88 4.9 9.8 0.5 CG B:LEU110 4.9 8.6 0.5 CZ2 C:TRP120 4.9 27.6 1.0

Fluorine binding site 7 out of 12 in the Crystal Structure of ALIS1-Streptavidin Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of ALIS1-Streptavidin Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:F200 b:27.3 occ:0.80 F3 C:T21200 0.0 27.3 0.8 C14 C:T21200 1.3 22.3 0.8 F1 C:T21200 2.2 26.7 0.8 F2 C:T21200 2.2 24.6 0.8 C12 C:T21200 2.3 19.4 0.8 C11 C:T21200 2.7 22.7 0.8 CB C:ALA86 3.3 11.8 1.0 C13 C:T21200 3.6 25.1 0.8 C10 C:T21200 4.1 22.2 0.8 OG C:SER88 4.5 12.0 0.5 CA C:ALA86 4.6 10.6 1.0 C8 C:T21200 4.7 22.6 0.8 O C:HOH325 4.7 19.5 1.0 C9 C:T21200 4.9 22.1 0.8

Fluorine binding site 8 out of 12 in the Crystal Structure of ALIS1-Streptavidin Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of ALIS1-Streptavidin Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:F200 b:26.7 occ:0.80 F1 C:T21200 0.0 26.7 0.8 C14 C:T21200 1.3 22.3 0.8 F3 C:T21200 2.2 27.3 0.8 F2 C:T21200 2.2 24.6 0.8 C12 C:T21200 2.3 19.4 0.8 OG C:SER88 2.6 12.0 0.5 C13 C:T21200 3.1 25.1 0.8 CB C:ALA86 3.1 11.8 1.0 C11 C:T21200 3.2 22.7 0.8 CB C:SER88 3.5 8.6 0.5 CD1 C:TRP79 3.6 9.7 1.0 OG C:SER88 3.7 9.7 0.5 CG C:TRP79 3.9 9.3 1.0 CB C:SER88 3.9 9.3 0.5 CB C:TRP79 4.0 9.5 1.0 NE1 C:TRP79 4.3 9.2 1.0 C8 C:T21200 4.4 22.6 0.8 CD1 C:LEU110 4.4 10.9 0.5 CD1 C:LEU110 4.4 13.1 0.5 C10 C:T21200 4.4 22.2 0.8 CA C:ALA86 4.5 10.6 1.0 O C:ALA86 4.6 12.4 1.0 CD2 C:TRP79 4.6 9.5 1.0 CD2 C:LEU110 4.8 14.2 0.5 C C:ALA86 4.8 10.1 1.0 CA C:SER88 4.9 9.2 0.5 C9 C:T21200 4.9 22.1 0.8 CE2 C:TRP79 4.9 9.1 1.0 CD2 C:LEU110 4.9 10.9 0.5 CG C:LEU110 5.0 10.3 0.5

Fluorine binding site 9 out of 12 in the Crystal Structure of ALIS1-Streptavidin Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of ALIS1-Streptavidin Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:F200 b:24.6 occ:0.80 F2 C:T21200 0.0 24.6 0.8 C14 C:T21200 1.3 22.3 0.8 F1 C:T21200 2.2 26.7 0.8 F3 C:T21200 2.2 27.3 0.8 C12 C:T21200 2.3 19.4 0.8 C13 C:T21200 2.7 25.1 0.8 C11 C:T21200 3.5 22.7 0.8 CH2 B:TRP120 3.8 31.0 1.0 CD1 C:LEU110 4.0 10.9 0.5 CD2 C:LEU110 4.0 14.2 0.5 C8 C:T21200 4.1 22.6 0.8 CZ3 B:TRP120 4.1 29.4 1.0 OG C:SER88 4.4 12.0 0.5 C10 C:T21200 4.7 22.2 0.8 CB C:ALA86 4.8 11.8 1.0 CD1 C:LEU110 4.8 13.1 0.5 C9 C:T21200 4.9 22.1 0.8 CG C:LEU110 4.9 11.2 0.5 CD2 C:LEU110 5.0 10.9 0.5 CZ2 B:TRP120 5.0 27.7 1.0 OG C:SER88 5.0 9.7 0.5

Fluorine binding site 10 out of 12 in the Crystal Structure of ALIS1-Streptavidin Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of ALIS1-Streptavidin Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:F200 b:22.9 occ:0.85 F3 D:T21200 0.0 22.9 0.8 C14 D:T21200 1.3 21.4 0.8 F2 D:T21200 2.1 22.3 0.8 F1 D:T21200 2.1 24.7 0.8 C12 D:T21200 2.4 17.9 0.8 C11 D:T21200 2.7 17.8 0.8 CB D:ALA86 3.3 12.5 1.0 C13 D:T21200 3.6 15.8 0.8 C10 D:T21200 4.1 18.4 0.8 OG D:SER88 4.4 13.9 0.5 O D:HOH343 4.4 31.1 1.0 C8 D:T21200 4.7 16.1 0.8 CA D:ALA86 4.8 11.0 1.0 C9 D:T21200 4.9 15.6 0.8 O D:HOH342 5.0 19.0 1.0

T.Terai, M.Kohno, G.Boncompain, S.Sugiyama, N.Saito, R.Fujikake, T.Ueno, T.Komatsu, K.Hanaoka, T.Okabe, Y.Urano, F.Perez, T.Nagano. Artificial Ligands of Streptavidin (Alis): Discovery, Characterization, and Application For Reversible Control of Intracellular Protein Transport J.Am.Chem.Soc. V. 137 10464 2015.
ISSN: ESSN 1520-5126
PubMed: 26261872
DOI: 10.1021/JACS.5B05672