Fluorine in PDB 5uu3: Insulin with Proline Analog Dfp at Position B28 in the R6 State

The structure of Insulin with Proline Analog Dfp at Position B28 in the R6 State, PDB code: 5uu3 was solved by S.A.Lieblich, K.Y.Fang, D.A.Tirrell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.90 / 2.25
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	40.599, 47.425, 78.705, 89.96, 89.93, 73.41
R / Rfree (%)	24.3 / 29.2

The structure of Insulin with Proline Analog Dfp at Position B28 in the R6 State also contains other interesting chemical elements:

Zinc	(Zn)	4 atoms
Chlorine	(Cl)	4 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 22;

Binding sites:

The binding sites of Fluorine atom in the Insulin with Proline Analog Dfp at Position B28 in the R6 State (pdb code 5uu3). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 22 binding sites of Fluorine where determined in the Insulin with Proline Analog Dfp at Position B28 in the R6 State, PDB code: 5uu3:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 22 in the Insulin with Proline Analog Dfp at Position B28 in the R6 State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Insulin with Proline Analog Dfp at Position B28 in the R6 State within 5.0Å range: probe atom residue distance (Å) B Occ B:F28 b:0.8 occ:1.00 F1 B:PDF28 0.0 0.8 1.0 CG B:PDF28 1.3 0.9 1.0 F2 B:PDF28 2.2 0.6 1.0 CD B:PDF28 2.3 0.2 1.0 CB B:PDF28 2.3 0.9 1.0 O D:GLU21 2.8 0.4 1.0 CA D:GLU21 2.9 0.5 1.0 C D:GLU21 3.2 0.6 1.0 CA B:PDF28 3.4 0.9 1.0 N B:PDF28 3.4 0.3 1.0 O B:PDF28 3.5 0.4 1.0 CB D:GLU21 3.6 0.5 1.0 O D:GLY20 3.9 0.5 1.0 C B:PDF28 3.9 0.2 1.0 N D:GLU21 4.0 0.2 1.0 C D:GLY20 4.3 0.5 1.0 N D:ARG22 4.5 0.2 1.0 C B:THR27 4.7 0.5 1.0

Fluorine binding site 2 out of 22 in the Insulin with Proline Analog Dfp at Position B28 in the R6 State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Insulin with Proline Analog Dfp at Position B28 in the R6 State within 5.0Å range: probe atom residue distance (Å) B Occ B:F28 b:0.6 occ:1.00 F2 B:PDF28 0.0 0.6 1.0 CG B:PDF28 1.3 0.9 1.0 F1 B:PDF28 2.2 0.8 1.0 CD B:PDF28 2.3 0.2 1.0 CB B:PDF28 2.3 0.9 1.0 O D:GLY20 2.8 0.5 1.0 N B:PDF28 3.1 0.3 1.0 CA B:PDF28 3.3 0.9 1.0 CA D:GLU21 3.6 0.5 1.0 C D:GLY20 3.6 0.5 1.0 O D:GLU21 3.9 0.4 1.0 C D:GLU21 4.0 0.6 1.0 N D:GLU21 4.0 0.2 1.0 C B:THR27 4.1 0.5 1.0 C B:PDF28 4.5 0.2 1.0 CA B:THR27 4.6 0.9 1.0 N D:GLY23 4.6 94.6 1.0 O B:PDF28 4.7 0.4 1.0 CE2 B:TYR26 4.8 91.5 1.0 CB D:GLU21 4.8 0.5 1.0 CA D:GLY23 4.8 96.0 1.0 CA D:GLY20 4.8 1.0 1.0 N D:ARG22 4.9 0.2 1.0 O B:THR27 5.0 0.2 1.0

Fluorine binding site 3 out of 22 in the Insulin with Proline Analog Dfp at Position B28 in the R6 State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Insulin with Proline Analog Dfp at Position B28 in the R6 State within 5.0Å range: probe atom residue distance (Å) B Occ D:F28 b:0.3 occ:1.00 F1 D:PDF28 0.0 0.3 1.0 CG D:PDF28 1.3 0.9 1.0 F2 D:PDF28 2.2 0.3 1.0 O B:GLY20 2.3 93.5 1.0 CD D:PDF28 2.3 0.0 1.0 CB D:PDF28 2.3 0.6 1.0 CA B:GLU21 3.0 0.2 1.0 C B:GLY20 3.1 96.1 1.0 N D:PDF28 3.1 0.4 1.0 CA D:PDF28 3.2 0.1 1.0 N B:GLU21 3.4 0.7 1.0 C B:GLU21 3.4 0.2 1.0 O B:GLU21 3.4 0.9 1.0 O D:PDF28 3.7 0.7 1.0 C D:PDF28 3.8 0.5 1.0 CB B:GLU21 4.2 0.7 1.0 N B:GLY23 4.3 90.7 1.0 C D:THR27 4.3 0.3 1.0 CA B:GLY20 4.4 92.6 1.0 N B:ARG22 4.4 0.5 1.0 CA B:GLY23 4.6 89.5 1.0 CA D:THR27 4.9 0.5 1.0

Fluorine binding site 4 out of 22 in the Insulin with Proline Analog Dfp at Position B28 in the R6 State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Insulin with Proline Analog Dfp at Position B28 in the R6 State within 5.0Å range: probe atom residue distance (Å) B Occ D:F28 b:0.3 occ:1.00 F2 D:PDF28 0.0 0.3 1.0 CG D:PDF28 1.3 0.9 1.0 F1 D:PDF28 2.2 0.3 1.0 CD D:PDF28 2.3 0.0 1.0 CB D:PDF28 2.3 0.6 1.0 O B:GLY20 3.0 93.5 1.0 N D:PDF28 3.5 0.4 1.0 CA D:PDF28 3.5 0.1 1.0 C B:GLY20 3.9 96.1 1.0 CE2 D:TYR26 3.9 87.7 1.0 CE1 B:TYR16 4.1 66.8 1.0 CD2 D:TYR26 4.5 87.1 1.0 CD1 B:TYR16 4.6 67.1 1.0 C D:PDF28 4.6 0.5 1.0 CZ B:TYR16 4.6 64.4 1.0 CA B:GLY20 4.7 92.6 1.0 C D:THR27 4.7 0.3 1.0 OH B:TYR16 4.8 64.7 1.0 N B:GLU21 4.8 0.7 1.0 CA B:GLU21 4.9 0.2 1.0 O B:TYR16 4.9 74.7 1.0 CZ D:TYR26 5.0 86.5 1.0

Fluorine binding site 5 out of 22 in the Insulin with Proline Analog Dfp at Position B28 in the R6 State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Insulin with Proline Analog Dfp at Position B28 in the R6 State within 5.0Å range: probe atom residue distance (Å) B Occ H:F28 b:97.8 occ:1.00 F1 H:PDF28 0.0 97.8 1.0 CG H:PDF28 1.3 94.4 1.0 F2 H:PDF28 2.2 90.5 1.0 CB H:PDF28 2.3 91.9 1.0 CD H:PDF28 2.3 92.2 1.0 O F:GLY20 2.4 62.6 1.0 CA F:GLU21 3.0 69.4 1.0 C F:GLY20 3.0 61.3 1.0 N F:GLU21 3.3 67.3 1.0 CA H:PDF28 3.3 0.5 1.0 N H:PDF28 3.4 0.3 1.0 C F:GLU21 3.6 72.0 1.0 C H:PDF28 3.8 0.7 1.0 O F:GLU21 3.8 74.4 1.0 CB F:GLU21 4.1 70.2 1.0 CA F:GLY20 4.2 62.4 1.0 N F:ARG22 4.6 63.9 1.0 C H:THR27 4.7 77.7 1.0 N F:GLY23 4.7 68.2 1.0 O H:PDF28 4.8 0.1 1.0

Fluorine binding site 6 out of 22 in the Insulin with Proline Analog Dfp at Position B28 in the R6 State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Insulin with Proline Analog Dfp at Position B28 in the R6 State within 5.0Å range: probe atom residue distance (Å) B Occ H:F28 b:90.5 occ:1.00 F2 H:PDF28 0.0 90.5 1.0 CG H:PDF28 1.3 94.4 1.0 F1 H:PDF28 2.2 97.8 1.0 CB H:PDF28 2.3 91.9 1.0 CD H:PDF28 2.3 92.2 1.0 O F:GLY20 3.1 62.6 1.0 N H:PDF28 3.2 0.3 1.0 CA H:PDF28 3.4 0.5 1.0 CE2 H:TYR26 3.6 62.6 1.0 CE1 F:TYR16 4.0 50.5 1.0 C F:GLY20 4.0 61.3 1.0 CD2 H:TYR26 4.1 66.0 1.0 C H:THR27 4.3 77.7 1.0 CD1 F:TYR16 4.5 53.4 1.0 C H:PDF28 4.5 0.7 1.0 CZ H:TYR26 4.6 61.3 1.0 CZ F:TYR16 4.7 48.0 1.0 OH H:TYR26 4.7 58.9 1.0 CA F:GLY20 4.8 62.4 1.0 CA H:THR27 4.9 81.6 1.0 N F:GLU21 4.9 67.3 1.0 CA F:GLU21 4.9 69.4 1.0 OH F:TYR16 4.9 46.3 1.0 CA F:GLY23 4.9 65.9 1.0

Fluorine binding site 7 out of 22 in the Insulin with Proline Analog Dfp at Position B28 in the R6 State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Insulin with Proline Analog Dfp at Position B28 in the R6 State within 5.0Å range: probe atom residue distance (Å) B Occ J:F28 b:0.4 occ:1.00 F1 J:PDF28 0.0 0.4 1.0 CG J:PDF28 1.3 0.1 1.0 F2 J:PDF28 2.2 0.1 1.0 CB J:PDF28 2.3 0.8 1.0 CD J:PDF28 2.3 0.4 1.0 O L:GLY20 2.4 81.5 1.0 C L:GLY20 3.0 82.7 1.0 CA L:GLU21 3.1 99.9 1.0 N L:GLU21 3.3 96.7 1.0 CA J:PDF28 3.5 0.9 1.0 N J:PDF28 3.5 0.1 1.0 C L:GLU21 3.8 99.3 1.0 O L:GLU21 3.9 0.8 1.0 CA L:GLY20 4.1 80.2 1.0 CB L:GLU21 4.3 0.9 1.0 C J:PDF28 4.3 0.1 1.0 N L:ARG22 4.7 85.8 1.0 C J:THR27 4.8 89.0 1.0 N L:GLY23 4.8 73.3 1.0 O J:PDF28 4.8 0.7 1.0 N J:LYS29 5.0 96.5 1.0

Fluorine binding site 8 out of 22 in the Insulin with Proline Analog Dfp at Position B28 in the R6 State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Insulin with Proline Analog Dfp at Position B28 in the R6 State within 5.0Å range: probe atom residue distance (Å) B Occ J:F28 b:0.1 occ:1.00 F2 J:PDF28 0.0 0.1 1.0 CG J:PDF28 1.3 0.1 1.0 F1 J:PDF28 2.2 0.4 1.0 CB J:PDF28 2.3 0.8 1.0 CD J:PDF28 2.3 0.4 1.0 N J:PDF28 3.0 0.1 1.0 CE2 J:TYR26 3.1 65.3 1.0 CA J:PDF28 3.1 0.9 1.0 O L:GLY20 3.3 81.5 1.0 CD2 J:TYR26 3.7 62.4 1.0 CE1 L:TYR16 4.1 44.5 1.0 C J:THR27 4.1 89.0 1.0 CZ J:TYR26 4.2 63.7 1.0 C L:GLY20 4.3 82.7 1.0 OH J:TYR26 4.3 67.4 1.0 C J:PDF28 4.5 0.1 1.0 CD1 L:TYR16 4.6 42.2 1.0 CA J:THR27 4.6 86.1 1.0 CZ L:TYR16 4.8 44.7 1.0 O J:THR27 5.0 88.2 1.0 OH L:TYR16 5.0 47.4 1.0

Fluorine binding site 9 out of 22 in the Insulin with Proline Analog Dfp at Position B28 in the R6 State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Insulin with Proline Analog Dfp at Position B28 in the R6 State within 5.0Å range: probe atom residue distance (Å) B Occ L:F28 b:0.2 occ:1.00 F1 L:PDF28 0.0 0.2 1.0 CG L:PDF28 1.3 95.0 1.0 F2 L:PDF28 2.2 93.1 1.0 CB L:PDF28 2.3 90.3 1.0 CD L:PDF28 2.3 90.5 1.0 O J:GLY20 2.5 59.0 1.0 CA J:GLU21 3.0 77.3 1.0 C J:GLY20 3.1 58.5 1.0 N J:GLU21 3.3 80.6 1.0 CA L:PDF28 3.4 90.0 1.0 N L:PDF28 3.4 89.7 1.0 C J:GLU21 3.6 78.8 1.0 O J:GLU21 3.7 77.4 1.0 C L:PDF28 3.9 89.2 1.0 CB J:GLU21 4.1 71.6 1.0 O L:PDF28 4.3 86.6 1.0 CA J:GLY20 4.3 60.5 1.0 N J:ARG22 4.6 69.4 1.0 N J:GLY23 4.6 56.0 1.0 C L:THR27 4.7 76.3 1.0

Fluorine binding site 10 out of 22 in the Insulin with Proline Analog Dfp at Position B28 in the R6 State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Insulin with Proline Analog Dfp at Position B28 in the R6 State within 5.0Å range: probe atom residue distance (Å) B Occ L:F28 b:93.1 occ:1.00 F2 L:PDF28 0.0 93.1 1.0 CG L:PDF28 1.3 95.0 1.0 F1 L:PDF28 2.2 0.2 1.0 CB L:PDF28 2.3 90.3 1.0 CD L:PDF28 2.3 90.5 1.0 N L:PDF28 3.1 89.7 1.0 O J:GLY20 3.2 59.0 1.0 CA L:PDF28 3.3 90.0 1.0 CE2 L:TYR26 3.5 62.0 1.0 CD2 L:TYR26 4.0 60.4 1.0 C L:THR27 4.2 76.3 1.0 C J:GLY20 4.2 58.5 1.0 CE1 J:TYR16 4.2 44.5 1.0 C L:PDF28 4.5 89.2 1.0 CZ L:TYR26 4.6 61.1 1.0 CA L:THR27 4.7 74.1 1.0 CD1 J:TYR16 4.7 44.8 1.0 CA J:GLY23 4.8 53.6 1.0 OH L:TYR26 4.9 63.0 1.0 CA J:GLU21 4.9 77.3 1.0 N J:GLY23 5.0 56.0 1.0 N J:GLU21 5.0 80.6 1.0 CZ J:TYR16 5.0 43.5 1.0

S.A.Lieblich, K.Y.Fang, D.A.Tirrell. Insulin with Proline Analog Dfp at Position B28 in the R6 State To Be Published.