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Fluorine in PDB 8p1p: USP28 in Complex with AZ1

Enzymatic activity of USP28 in Complex with AZ1

All present enzymatic activity of USP28 in Complex with AZ1:
3.4.19.12;

Protein crystallography data

The structure of USP28 in Complex with AZ1, PDB code: 8p1p was solved by F.Sauer, R.Karal-Nair, C.Kisker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.35 / 2.76
Space group P 21 2 21
Cell size a, b, c (Å), α, β, γ (°) 100.444, 105.541, 178.708, 90, 90, 90
R / Rfree (%) 21.3 / 24.1

Other elements in 8p1p:

The structure of USP28 in Complex with AZ1 also contains other interesting chemical elements:

Bromine (Br) 2 atoms
Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the USP28 in Complex with AZ1 (pdb code 8p1p). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the USP28 in Complex with AZ1, PDB code: 8p1p:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 8p1p

Go back to Fluorine Binding Sites List in 8p1p
Fluorine binding site 1 out of 8 in the USP28 in Complex with AZ1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of USP28 in Complex with AZ1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F803

b:53.0
occ:1.00
 F A:WF0803 0.0 53.0 1.0
C13 A:WF0803 1.3 55.6 1.0
C12 A:WF0803 2.3 52.7 1.0
C14 A:WF0803 2.4 57.6 1.0
F1 A:WF0803 2.5 110.8 1.0
C15 A:WF0803 2.8 81.2 1.0
F2 A:WF0803 3.3 95.3 1.0
SG A:CYS644 3.5 29.3 1.0
C11 A:WF0803 3.6 26.4 1.0
C16 A:WF0803 3.6 47.7 1.0
CD1 A:LEU590 3.7 35.2 1.0
F3 A:WF0803 4.0 120.8 1.0
CG1 A:VAL176 4.1 50.9 1.0
C10 A:WF0803 4.1 43.0 1.0
CG2 A:THR260 4.4 58.5 1.0
CB A:CYS644 4.5 21.6 1.0
CD1 A:LEU264 4.6 54.8 1.0
CG2 A:THR364 4.6 30.0 1.0
CG2 A:VAL176 4.8 68.6 1.0
SD A:MET646 4.9 40.0 1.0
CG A:LEU590 5.0 27.9 1.0

Fluorine binding site 2 out of 8 in 8p1p

Go back to Fluorine Binding Sites List in 8p1p
Fluorine binding site 2 out of 8 in the USP28 in Complex with AZ1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of USP28 in Complex with AZ1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F803

b:110.8
occ:1.00
 F1 A:WF0803 0.0 110.8 1.0
C15 A:WF0803 1.3 81.2 1.0
F3 A:WF0803 2.1 120.8 1.0
F2 A:WF0803 2.1 95.3 1.0
C14 A:WF0803 2.3 57.6 1.0
F A:WF0803 2.5 53.0 1.0
C13 A:WF0803 2.8 55.6 1.0
CG2 A:THR260 3.4 58.5 1.0
C16 A:WF0803 3.6 47.7 1.0
OE2 A:GLU366 3.7 78.4 1.0
CD1 A:LEU264 3.9 54.8 1.0
CB A:THR260 4.0 68.7 1.0
C12 A:WF0803 4.1 52.7 1.0
CE1 A:HIS261 4.3 86.5 1.0
ND1 A:HIS261 4.3 76.3 1.0
C10 A:WF0803 4.7 43.0 1.0
CD A:GLU366 4.7 70.4 1.0
OG1 A:THR260 4.9 68.6 1.0
C A:THR260 4.9 78.5 1.0
SG A:CYS644 4.9 29.3 1.0
C11 A:WF0803 4.9 26.4 1.0
N A:HIS261 5.0 74.0 1.0

Fluorine binding site 3 out of 8 in 8p1p

Go back to Fluorine Binding Sites List in 8p1p
Fluorine binding site 3 out of 8 in the USP28 in Complex with AZ1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of USP28 in Complex with AZ1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F803

b:95.3
occ:1.00
 F2 A:WF0803 0.0 95.3 1.0
C15 A:WF0803 1.3 81.2 1.0
F1 A:WF0803 2.1 110.8 1.0
F3 A:WF0803 2.1 120.8 1.0
C14 A:WF0803 2.4 57.6 1.0
OE2 A:GLU366 2.5 78.4 1.0
CD A:GLU366 3.0 70.4 1.0
CG A:GLU366 3.1 43.1 1.0
C13 A:WF0803 3.2 55.6 1.0
F A:WF0803 3.3 53.0 1.0
C16 A:WF0803 3.3 47.7 1.0
SG A:CYS644 4.0 29.3 1.0
CE1 A:HIS261 4.0 86.5 1.0
OE1 A:GLU366 4.1 65.3 1.0
CG2 A:THR364 4.2 30.0 1.0
C12 A:WF0803 4.5 52.7 1.0
C10 A:WF0803 4.5 43.0 1.0
CG A:GLN315 4.6 54.4 1.0
CB A:GLN315 4.6 35.8 1.0
CB A:GLU366 4.6 28.7 1.0
ND1 A:HIS261 4.6 76.3 1.0
NE2 A:HIS261 4.7 76.6 1.0
CB A:CYS644 4.9 21.6 1.0
CD A:GLN315 4.9 69.9 1.0

Fluorine binding site 4 out of 8 in 8p1p

Go back to Fluorine Binding Sites List in 8p1p
Fluorine binding site 4 out of 8 in the USP28 in Complex with AZ1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of USP28 in Complex with AZ1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F803

b:120.8
occ:1.00
 F3 A:WF0803 0.0 120.8 1.0
C15 A:WF0803 1.3 81.2 1.0
F1 A:WF0803 2.1 110.8 1.0
F2 A:WF0803 2.1 95.3 1.0
C14 A:WF0803 2.3 57.6 1.0
CE1 A:HIS261 2.8 86.5 1.0
C16 A:WF0803 2.8 47.7 1.0
ND1 A:HIS261 3.0 76.3 1.0
OE2 A:GLU366 3.3 78.4 1.0
C13 A:WF0803 3.6 55.6 1.0
OE1 A:GLN315 3.8 69.0 1.0
CD A:GLN315 3.8 69.9 1.0
CD1 A:LEU264 3.9 54.8 1.0
NE2 A:HIS261 3.9 76.6 1.0
CD A:GLU366 4.0 70.4 1.0
F A:WF0803 4.0 53.0 1.0
CG A:GLN315 4.1 54.4 1.0
C10 A:WF0803 4.1 43.0 1.0
CG A:HIS261 4.2 76.6 1.0
NE2 A:GLN315 4.3 72.8 1.0
C A:WF0803 4.5 47.3 1.0
CB A:GLN315 4.5 35.8 1.0
OE1 A:GLU366 4.6 65.3 1.0
CD2 A:HIS261 4.7 73.6 1.0
CG A:GLU366 4.7 43.1 1.0
C12 A:WF0803 4.7 52.7 1.0
C11 A:WF0803 4.9 26.4 1.0
O1 A:WF0803 4.9 60.1 1.0
CA A:HIS261 4.9 75.8 1.0
CG2 A:THR260 5.0 58.5 1.0

Fluorine binding site 5 out of 8 in 8p1p

Go back to Fluorine Binding Sites List in 8p1p
Fluorine binding site 5 out of 8 in the USP28 in Complex with AZ1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of USP28 in Complex with AZ1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:69.8
occ:1.00
 F B:WF0801 0.0 69.8 1.0
C13 B:WF0801 1.3 59.6 1.0
C12 B:WF0801 2.3 61.4 1.0
C14 B:WF0801 2.4 55.8 1.0
F3 B:WF0801 2.5 81.7 1.0
C15 B:WF0801 2.8 76.6 1.0
F2 B:WF0801 3.3 99.2 1.0
SG B:CYS644 3.5 56.2 1.0
C11 B:WF0801 3.6 44.9 1.0
C16 B:WF0801 3.6 53.1 1.0
CD1 B:LEU590 3.7 62.6 1.0
CG1 B:VAL176 3.8 58.3 1.0
F1 B:WF0801 4.0 91.4 1.0
C10 B:WF0801 4.1 45.4 1.0
CD1 B:LEU264 4.3 52.3 1.0
SD B:MET646 4.5 51.1 1.0
CG2 B:VAL176 4.5 76.9 1.0
CB B:CYS644 4.6 50.2 1.0
CB B:VAL176 4.7 58.5 1.0
CG2 B:THR364 4.7 47.1 1.0
CG B:LEU590 4.9 56.3 1.0
OG B:SER179 5.0 73.9 1.0

Fluorine binding site 6 out of 8 in 8p1p

Go back to Fluorine Binding Sites List in 8p1p
Fluorine binding site 6 out of 8 in the USP28 in Complex with AZ1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of USP28 in Complex with AZ1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:91.4
occ:1.00
 F1 B:WF0801 0.0 91.4 1.0
C15 B:WF0801 1.3 76.6 1.0
F3 B:WF0801 2.1 81.7 1.0
F2 B:WF0801 2.1 99.2 1.0
C14 B:WF0801 2.3 55.8 1.0
C16 B:WF0801 2.8 53.1 1.0
OE2 B:GLU366 3.0 66.5 1.0
CE1 B:HIS261 3.3 72.3 1.0
CD B:GLU366 3.6 65.6 1.0
C13 B:WF0801 3.6 59.6 1.0
CD B:GLN315 3.6 51.2 1.0
OE1 B:GLN315 3.7 51.3 1.0
CG B:GLN315 3.7 44.4 1.0
ND1 B:HIS261 3.8 70.9 1.0
CG B:GLU366 3.9 52.6 1.0
F B:WF0801 4.0 69.8 1.0
CB B:GLN315 4.0 40.9 1.0
NE2 B:GLN315 4.2 63.7 1.0
C10 B:WF0801 4.2 45.4 1.0
OE1 B:GLU366 4.4 58.2 1.0
NE2 B:HIS261 4.4 75.9 1.0
CG2 B:THR364 4.5 47.1 1.0
CD1 B:LEU264 4.7 52.3 1.0
C12 B:WF0801 4.7 61.4 1.0
C11 B:WF0801 5.0 44.9 1.0
SG B:CYS644 5.0 56.2 1.0

Fluorine binding site 7 out of 8 in 8p1p

Go back to Fluorine Binding Sites List in 8p1p
Fluorine binding site 7 out of 8 in the USP28 in Complex with AZ1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of USP28 in Complex with AZ1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:99.2
occ:1.00
 F2 B:WF0801 0.0 99.2 1.0
C15 B:WF0801 1.3 76.6 1.0
F1 B:WF0801 2.1 91.4 1.0
F3 B:WF0801 2.1 81.7 1.0
C14 B:WF0801 2.4 55.8 1.0
CD1 B:LEU264 3.1 52.3 1.0
C13 B:WF0801 3.2 59.6 1.0
C16 B:WF0801 3.2 53.1 1.0
F B:WF0801 3.3 69.8 1.0
OG1 B:THR260 3.6 80.9 1.0
ND1 B:HIS261 3.7 70.9 1.0
CE1 B:HIS261 3.9 72.3 1.0
CB B:THR260 4.2 62.8 1.0
CG B:LEU264 4.2 53.6 1.0
OE2 B:GLU366 4.3 66.5 1.0
C B:THR260 4.4 78.7 1.0
C12 B:WF0801 4.4 61.4 1.0
O B:THR260 4.4 91.9 1.0
C10 B:WF0801 4.5 45.4 1.0
N B:HIS261 4.5 66.3 1.0
CA B:HIS261 4.7 55.7 1.0
CG B:HIS261 4.7 72.4 1.0
OE1 B:GLN315 4.9 51.3 1.0
C11 B:WF0801 4.9 44.9 1.0
NE2 B:HIS261 5.0 75.9 1.0
CB B:LEU264 5.0 61.4 1.0
CA B:THR260 5.0 73.1 1.0

Fluorine binding site 8 out of 8 in 8p1p

Go back to Fluorine Binding Sites List in 8p1p
Fluorine binding site 8 out of 8 in the USP28 in Complex with AZ1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of USP28 in Complex with AZ1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:81.7
occ:1.00
 F3 B:WF0801 0.0 81.7 1.0
C15 B:WF0801 1.3 76.6 1.0
F1 B:WF0801 2.1 91.4 1.0
F2 B:WF0801 2.1 99.2 1.0
C14 B:WF0801 2.3 55.8 1.0
F B:WF0801 2.5 69.8 1.0
C13 B:WF0801 2.8 59.6 1.0
C16 B:WF0801 3.6 53.1 1.0
SG B:CYS644 3.6 56.2 1.0
OE2 B:GLU366 3.7 66.5 1.0
C12 B:WF0801 4.1 61.4 1.0
OG1 B:THR260 4.3 80.9 1.0
CB B:CYS644 4.3 50.2 1.0
CG B:GLU366 4.4 52.6 1.0
CD B:GLU366 4.5 65.6 1.0
CG2 B:THR364 4.7 47.1 1.0
CE1 B:HIS261 4.7 72.3 1.0
C10 B:WF0801 4.7 45.4 1.0
CD1 B:LEU264 4.8 52.3 1.0
C11 B:WF0801 4.9 44.9 1.0
CD1 B:LEU590 5.0 62.6 1.0

Reference:

F.Sauer, R.Karal-Nair, C.Kisker. USP28 in Complex with AZ1 To Be Published.
Page generated: Fri Aug 2 21:42:29 2024

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