Fluorine in PDB 5uqa: Insulin with Proline Analog Fzp at Position B28 in the R6 State

Protein crystallography data

The structure of Insulin with Proline Analog Fzp at Position B28 in the R6 State, PDB code: 5uqa 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) 35.53 / 1.31
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 46.936, 61.258, 60.390, 90.00, 111.69, 90.00
R / Rfree (%) 15.2 / 18.2

Other elements in 5uqa:

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

Zinc (Zn) 2 atoms
Chlorine (Cl) 2 atoms
Sodium (Na) 6 atoms

Fluorine Binding Sites:

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

Fluorine binding site 1 out of 6 in 5uqa

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Fluorine binding site 1 out of 6 in the Insulin with Proline Analog Fzp 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 Fzp at Position B28 in the R6 State within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F28

b:28.0
occ:1.00
FGX B:4FB28 0.0 28.0 1.0
CGX B:4FB28 1.4 26.6 1.0
CBX B:4FB28 2.3 26.9 1.0
CDX B:4FB28 2.4 28.0 1.0
CA D:GLU21 2.9 21.6 1.0
CA B:4FB28 3.0 26.2 1.0
O D:GLY20 3.0 20.1 1.0
N B:4FB28 3.0 26.4 1.0
C B:4FB28 3.1 29.1 1.0
N D:GLU21 3.1 20.1 1.0
C D:GLY20 3.1 18.3 1.0
N B:LYS29 3.2 30.9 1.0
CG D:GLU21 3.3 26.7 1.0
CB D:GLU21 3.7 24.1 1.0
O B:4FB28 3.8 29.6 1.0
C D:GLU21 4.0 21.6 1.0
CA B:LYS29 4.2 34.2 1.0
CA D:GLY20 4.2 18.2 1.0
O B:HOH411 4.2 27.7 1.0
OG1 B:THR27 4.2 29.6 1.0
C B:THR27 4.3 27.9 1.0
O D:HOH216 4.3 22.1 1.0
O D:GLU21 4.4 25.5 1.0
CD D:GLU21 4.7 33.2 1.0
CB B:LYS29 4.8 34.6 1.0
N D:ARG22 4.9 20.6 1.0
O D:HOH213 4.9 21.4 1.0
CA B:THR27 5.0 26.4 1.0

Fluorine binding site 2 out of 6 in 5uqa

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Fluorine binding site 2 out of 6 in the Insulin with Proline Analog Fzp 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 Fzp at Position B28 in the R6 State within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F28

b:36.1
occ:1.00
FGX D:4FB28 0.0 36.1 1.0
CGX D:4FB28 1.4 34.8 1.0
CBX D:4FB28 2.3 33.9 1.0
CDX D:4FB28 2.4 35.1 1.0
O B:GLY20 3.0 31.8 1.0
CA B:GLU21 3.0 32.7 1.0
CA D:4FB28 3.1 33.7 1.0
N D:4FB28 3.1 34.7 1.0
O D:4FB28 3.2 35.7 1.0
C B:GLY20 3.2 32.2 1.0
C D:4FB28 3.3 34.4 1.0
N B:GLU21 3.3 32.4 1.0
CG B:GLU21 3.5 33.2 1.0
CB B:GLU21 3.8 33.7 1.0
C B:GLU21 4.1 34.5 1.0
CA B:GLY20 4.3 29.5 1.0
C D:THR27 4.3 33.0 1.0
O D:HOH204 4.4 35.7 1.0
O B:GLU21 4.4 37.5 1.0
OG1 D:THR27 4.5 40.0 1.0
O B:HOH412 4.7 40.8 1.0
O B:HOH408 4.9 28.9 1.0
N B:ARG22 5.0 33.3 1.0
CA D:THR27 5.0 32.4 1.0

Fluorine binding site 3 out of 6 in 5uqa

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Fluorine binding site 3 out of 6 in the Insulin with Proline Analog Fzp 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 Fzp at Position B28 in the R6 State within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F28

b:37.9
occ:1.00
FGX F:4FB28 0.0 37.9 1.0
CGX F:4FB28 1.4 35.3 1.0
CBX F:4FB28 2.3 33.8 1.0
CDX F:4FB28 2.4 31.8 1.0
O H:GLU21 3.1 29.2 1.0
N F:4FB28 3.1 29.4 1.0
CA F:4FB28 3.1 32.5 1.0
CA H:GLU21 3.2 27.9 1.0
C F:4FB28 3.4 35.6 1.0
C H:GLU21 3.5 27.0 1.0
N F:LYS29 3.6 37.8 1.0
CB H:GLU21 3.8 31.9 1.0
O F:4FB28 4.1 37.3 1.0
O F:HOH215 4.2 40.3 1.0
O H:GLY20 4.2 22.5 1.0
CG H:GLU21 4.3 36.8 1.0
N H:GLU21 4.3 26.8 1.0
C F:THR27 4.4 25.6 1.0
CA F:LYS29 4.5 41.1 1.0
C H:GLY20 4.7 24.6 1.0
N H:ARG22 4.7 23.8 0.4
N H:ARG22 4.7 24.7 0.6
OG1 F:THR27 4.8 29.6 0.7
CG2 F:THR27 4.9 30.5 0.3
CA F:THR27 5.0 25.8 0.3
CA F:THR27 5.0 24.8 0.7

Fluorine binding site 4 out of 6 in 5uqa

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Fluorine binding site 4 out of 6 in the Insulin with Proline Analog Fzp 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 Fzp at Position B28 in the R6 State within 5.0Å range:
probe atom residue distance (Å) B Occ
H:F28

b:39.9
occ:1.00
FGX H:4FB28 0.0 39.9 1.0
CGX H:4FB28 1.4 36.0 1.0
CBX H:4FB28 2.3 36.5 1.0
CDX H:4FB28 2.4 34.1 1.0
O F:HOH214 3.0 48.6 1.0
N H:4FB28 3.0 34.3 1.0
CA H:4FB28 3.1 35.1 1.0
O F:GLU21 3.3 30.7 1.0
C H:4FB28 3.5 37.5 1.0
CA F:GLU21 3.7 29.4 1.0
O F:HOH217 3.7 39.5 1.0
C F:GLU21 3.7 27.6 1.0
O F:GLY20 4.1 25.1 1.0
C H:THR27 4.2 34.6 1.0
O H:4FB28 4.3 37.5 1.0
N F:GLY23 4.5 22.4 1.0
CB F:GLU21 4.5 29.4 1.0
N F:GLU21 4.7 29.8 1.0
CA F:GLY23 4.7 22.0 1.0
C F:GLY20 4.8 25.9 1.0
CA H:THR27 4.8 31.5 1.0
N F:ARG22 4.8 26.0 1.0
CE2 H:TYR26 4.9 25.5 1.0

Fluorine binding site 5 out of 6 in 5uqa

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Fluorine binding site 5 out of 6 in the Insulin with Proline Analog Fzp 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 Fzp at Position B28 in the R6 State within 5.0Å range:
probe atom residue distance (Å) B Occ
J:F28

b:35.2
occ:1.00
FGX J:4FB28 0.0 35.2 1.0
CGX J:4FB28 1.4 33.0 1.0
CBX J:4FB28 2.3 32.3 1.0
CDX J:4FB28 2.4 30.8 1.0
N J:4FB28 3.0 28.3 1.0
CA J:4FB28 3.1 30.7 1.0
O J:4FB28 3.3 36.2 1.0
O L:HOH212 3.4 51.9 1.0
C J:4FB28 3.4 33.8 1.0
O L:GLU21 3.5 35.3 1.0
CA L:GLU21 3.6 31.5 1.0
C L:GLU21 3.9 33.3 1.0
C J:THR27 4.2 29.0 1.0
CB L:GLU21 4.3 31.9 1.0
O L:GLY20 4.4 30.1 1.0
CG2 J:THR27 4.6 33.9 1.0
N L:GLU21 4.7 31.3 1.0
CA J:THR27 4.7 29.7 1.0
C L:GLY20 4.9 30.6 1.0

Fluorine binding site 6 out of 6 in 5uqa

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Fluorine binding site 6 out of 6 in the Insulin with Proline Analog Fzp 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 Fzp at Position B28 in the R6 State within 5.0Å range:
probe atom residue distance (Å) B Occ
L:F28

b:48.9
occ:1.00
FGX L:4FB28 0.0 48.9 1.0
CGX L:4FB28 1.4 46.4 1.0
CBX L:4FB28 2.3 45.8 1.0
CDX L:4FB28 2.4 44.5 1.0
O J:GLU21 2.6 35.4 1.0
CA J:GLU21 3.0 30.7 1.0
C J:GLU21 3.0 32.1 1.0
N L:4FB28 3.1 42.5 1.0
N L:LYS29 3.1 49.4 1.0
CA L:4FB28 3.1 44.5 1.0
C L:4FB28 3.5 47.1 1.0
O J:GLY20 3.5 24.6 1.0
CB J:GLU21 3.9 32.5 1.0
N J:GLU21 4.0 28.0 1.0
CB L:LYS29 4.1 53.1 1.0
N J:ARG22 4.1 30.6 1.0
N J:GLY23 4.1 26.1 1.0
C J:GLY20 4.1 25.6 1.0
CA L:LYS29 4.2 52.5 1.0
C L:THR27 4.2 40.8 1.0
C J:ARG22 4.5 29.9 1.0
O L:4FB28 4.6 48.1 1.0
CA J:GLY23 4.6 24.0 1.0
CA L:THR27 4.8 36.3 1.0
CA J:ARG22 4.8 30.5 1.0

Reference:

S.A.Lieblich, K.Y.Fang, D.A.Tirrell. Insulin with Proline Analog Fzp at Position B28 in the R6 State To Be Published.
Page generated: Sun Dec 13 12:39:35 2020

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