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

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy