Fluorine in PDB 8uvq: Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down)

Enzymatic activity of Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down)

All present enzymatic activity of Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down):
3.6.4.6;

Fluorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Fluorine atom in the Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down) (pdb code 8uvq). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down), PDB code: 8uvq:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 8uvq

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Fluorine binding site 1 out of 12 in the Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F903

b:75.6
occ:1.00
 F20 A:XO8903 0.0 75.6 1.0
C19 A:XO8903 1.3 76.7 1.0
C21 A:XO8903 2.3 76.6 1.0
C18 A:XO8903 2.3 76.5 1.0
O22 A:XO8903 2.8 74.5 1.0
CB A:LYS615 3.2 68.2 1.0
C42 A:XO8903 3.6 77.7 1.0
CA A:LYS615 3.6 68.4 1.0
C17 A:XO8903 3.7 77.9 1.0
CG A:PRO510 3.9 75.7 1.0
C43 A:XO8903 4.0 79.3 1.0
CD A:LYS512 4.2 71.9 1.0
C23 A:XO8903 4.2 73.9 1.0
CE A:LYS615 4.3 67.9 1.0
C37 A:XO8903 4.4 72.1 1.0
CG A:LYS615 4.5 69.3 1.0
N A:LYS615 4.5 68.0 1.0
CD A:PRO510 4.7 76.8 1.0
C A:LYS615 4.8 68.9 1.0
N38 A:XO8903 4.8 70.9 1.0
O A:LYS615 4.9 70.3 1.0
C16 A:XO8903 4.9 79.3 1.0
CD A:LYS615 4.9 67.0 1.0

Fluorine binding site 2 out of 12 in 8uvq

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Fluorine binding site 2 out of 12 in the Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F903

b:82.0
occ:1.00
 F44 A:XO8903 0.0 82.0 1.0
C43 A:XO8903 1.3 79.3 1.0
C42 A:XO8903 2.3 77.7 1.0
C17 A:XO8903 2.3 77.9 1.0
C16 A:XO8903 2.9 79.3 1.0
C01 A:XO8903 3.2 80.1 1.0
C18 A:XO8903 3.6 76.5 1.0
C21 A:XO8903 3.6 76.6 1.0
O A:PRO500 3.7 87.2 1.0
CB A:PRO500 3.8 83.1 1.0
CB A:PHE503 4.0 84.0 1.0
N15 A:XO8903 4.0 80.9 1.0
C19 A:XO8903 4.0 76.7 1.0
CA A:PRO500 4.1 83.6 1.0
C A:PRO500 4.3 85.4 1.0
N02 A:XO8903 4.4 82.5 1.0
CD A:PRO510 4.5 76.8 1.0
CG A:PRO510 4.5 75.7 1.0
O A:PRO496 4.6 78.5 1.0
N A:LEU504 4.6 88.8 1.0
N03 A:XO8903 4.7 83.3 1.0
O22 A:XO8903 4.8 74.5 1.0
C A:PHE503 4.9 87.9 1.0
CB A:LEU504 4.9 87.3 1.0
CG A:PHE503 4.9 83.3 1.0
C23 A:XO8903 5.0 73.9 1.0
CA A:PHE503 5.0 86.0 1.0

Fluorine binding site 3 out of 12 in 8uvq

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Fluorine binding site 3 out of 12 in the Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F903

b:38.7
occ:1.00
 F20 B:XO8903 0.0 38.7 1.0
C19 B:XO8903 1.3 38.9 1.0
C21 B:XO8903 2.3 39.9 1.0
C18 B:XO8903 2.3 35.7 1.0
O22 B:XO8903 2.8 35.7 1.0
CB B:LYS615 3.2 27.2 1.0
C42 B:XO8903 3.6 39.8 1.0
CA B:LYS615 3.6 27.5 1.0
C17 B:XO8903 3.7 38.9 1.0
CG B:PRO510 3.9 36.3 1.0
C43 B:XO8903 4.0 41.7 1.0
CD B:LYS512 4.2 34.1 1.0
C23 B:XO8903 4.2 33.7 1.0
CE B:LYS615 4.3 30.6 1.0
C37 B:XO8903 4.4 29.4 1.0
N B:LYS615 4.5 24.0 1.0
CG B:LYS615 4.5 32.7 1.0
CD B:PRO510 4.6 36.8 1.0
C B:LYS615 4.8 28.8 1.0
N38 B:XO8903 4.8 25.3 1.0
O B:LYS615 4.9 31.6 1.0
C16 B:XO8903 4.9 42.1 1.0
CD B:LYS615 4.9 29.3 1.0

Fluorine binding site 4 out of 12 in 8uvq

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Fluorine binding site 4 out of 12 in the Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F903

b:45.7
occ:1.00
 F44 B:XO8903 0.0 45.7 1.0
C43 B:XO8903 1.3 41.7 1.0
C42 B:XO8903 2.3 39.8 1.0
C17 B:XO8903 2.3 38.9 1.0
C16 B:XO8903 2.9 42.1 1.0
C01 B:XO8903 3.2 41.9 1.0
C18 B:XO8903 3.6 35.7 1.0
C21 B:XO8903 3.6 39.9 1.0
O B:PRO500 3.7 52.0 1.0
CB B:PRO500 3.8 44.9 1.0
CB B:PHE503 4.0 44.0 1.0
N15 B:XO8903 4.0 41.4 1.0
C19 B:XO8903 4.0 38.9 1.0
CA B:PRO500 4.1 44.0 1.0
C B:PRO500 4.3 46.4 1.0
N02 B:XO8903 4.4 43.7 1.0
CD B:PRO510 4.5 36.8 1.0
CG B:PRO510 4.5 36.3 1.0
O B:PRO496 4.6 43.0 1.0
N B:LEU504 4.6 54.2 1.0
N03 B:XO8903 4.7 44.6 1.0
O22 B:XO8903 4.8 35.7 1.0
C B:PHE503 4.8 53.2 1.0
CB B:LEU504 4.9 51.3 1.0
CG B:PHE503 5.0 44.6 1.0
C23 B:XO8903 5.0 33.7 1.0
CA B:PHE503 5.0 48.8 1.0

Fluorine binding site 5 out of 12 in 8uvq

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Fluorine binding site 5 out of 12 in the Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F903

b:36.3
occ:1.00
 F20 C:XO8903 0.0 36.3 1.0
C19 C:XO8903 1.3 35.1 1.0
C21 C:XO8903 2.3 37.4 1.0
C18 C:XO8903 2.3 35.6 1.0
O22 C:XO8903 2.8 37.9 1.0
CB C:LYS615 3.2 25.4 1.0
C42 C:XO8903 3.6 37.2 1.0
CA C:LYS615 3.6 23.7 1.0
C17 C:XO8903 3.7 38.9 1.0
CG C:PRO510 3.9 31.0 1.0
C43 C:XO8903 4.0 39.3 1.0
CD C:LYS512 4.2 28.9 1.0
C23 C:XO8903 4.2 33.4 1.0
CE C:LYS615 4.3 30.9 1.0
C37 C:XO8903 4.4 24.9 1.0
N C:LYS615 4.5 22.6 1.0
CG C:LYS615 4.5 30.1 1.0
CD C:PRO510 4.6 35.3 1.0
C C:LYS615 4.8 27.2 1.0
N38 C:XO8903 4.8 24.2 1.0
O C:LYS615 4.9 31.8 1.0
C16 C:XO8903 4.9 39.6 1.0
CD C:LYS615 4.9 31.1 1.0

Fluorine binding site 6 out of 12 in 8uvq

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Fluorine binding site 6 out of 12 in the Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F903

b:42.6
occ:1.00
 F44 C:XO8903 0.0 42.6 1.0
C43 C:XO8903 1.3 39.3 1.0
C42 C:XO8903 2.3 37.2 1.0
C17 C:XO8903 2.3 38.9 1.0
C16 C:XO8903 2.9 39.6 1.0
C01 C:XO8903 3.2 39.0 1.0
C18 C:XO8903 3.6 35.6 1.0
C21 C:XO8903 3.6 37.4 1.0
O C:PRO500 3.7 45.9 1.0
CB C:PRO500 3.8 41.8 1.0
CB C:PHE503 4.0 40.6 1.0
N15 C:XO8903 4.0 38.7 1.0
C19 C:XO8903 4.0 35.1 1.0
CA C:PRO500 4.1 40.5 1.0
C C:PRO500 4.3 43.7 1.0
N02 C:XO8903 4.4 40.9 1.0
CD C:PRO510 4.5 35.3 1.0
CG C:PRO510 4.5 31.0 1.0
O C:PRO496 4.6 35.8 1.0
N C:LEU504 4.6 48.2 1.0
N03 C:XO8903 4.7 42.6 1.0
O22 C:XO8903 4.8 37.9 1.0
C C:PHE503 4.8 47.4 1.0
CB C:LEU504 4.9 46.3 1.0
CG C:PHE503 4.9 39.5 1.0
CA C:PHE503 5.0 45.8 1.0
C23 C:XO8903 5.0 33.4 1.0

Fluorine binding site 7 out of 12 in 8uvq

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Fluorine binding site 7 out of 12 in the Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F903

b:75.7
occ:1.00
 F20 D:XO8903 0.0 75.7 1.0
C19 D:XO8903 1.3 77.4 1.0
C21 D:XO8903 2.3 77.5 1.0
C18 D:XO8903 2.3 77.6 1.0
O22 D:XO8903 2.8 75.3 1.0
CB D:LYS615 3.2 68.7 1.0
C42 D:XO8903 3.6 78.4 1.0
CA D:LYS615 3.6 68.4 1.0
C17 D:XO8903 3.7 79.1 1.0
CG D:PRO510 3.9 76.2 1.0
C43 D:XO8903 4.0 79.9 1.0
CD D:LYS512 4.2 71.8 1.0
C23 D:XO8903 4.2 74.5 1.0
CE D:LYS615 4.3 68.7 1.0
C37 D:XO8903 4.4 72.6 1.0
CG D:LYS615 4.5 69.7 1.0
N D:LYS615 4.5 68.1 1.0
CD D:PRO510 4.6 77.3 1.0
C D:LYS615 4.8 69.0 1.0
N38 D:XO8903 4.8 71.1 1.0
O D:LYS615 4.9 70.4 1.0
C16 D:XO8903 4.9 80.5 1.0
CD D:LYS615 4.9 67.6 1.0

Fluorine binding site 8 out of 12 in 8uvq

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Fluorine binding site 8 out of 12 in the Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F903

b:82.2
occ:1.00
 F44 D:XO8903 0.0 82.2 1.0
C43 D:XO8903 1.3 79.9 1.0
C42 D:XO8903 2.3 78.4 1.0
C17 D:XO8903 2.3 79.1 1.0
C16 D:XO8903 2.9 80.5 1.0
C01 D:XO8903 3.2 81.0 1.0
C18 D:XO8903 3.6 77.6 1.0
C21 D:XO8903 3.6 77.5 1.0
O D:PRO500 3.7 87.7 1.0
CB D:PRO500 3.8 83.1 1.0
CB D:PHE503 4.0 84.8 1.0
N15 D:XO8903 4.0 81.7 1.0
C19 D:XO8903 4.0 77.4 1.0
CA D:PRO500 4.1 83.6 1.0
C D:PRO500 4.3 85.7 1.0
N02 D:XO8903 4.4 83.7 1.0
CD D:PRO510 4.5 77.3 1.0
CG D:PRO510 4.5 76.2 1.0
O D:PRO496 4.6 79.1 1.0
N D:LEU504 4.6 89.7 1.0
N03 D:XO8903 4.7 84.3 1.0
O22 D:XO8903 4.8 75.3 1.0
C D:PHE503 4.8 88.7 1.0
CB D:LEU504 4.9 88.2 1.0
CG D:PHE503 4.9 84.1 1.0
CA D:PHE503 5.0 86.7 1.0
C23 D:XO8903 5.0 74.5 1.0

Fluorine binding site 9 out of 12 in 8uvq

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Fluorine binding site 9 out of 12 in the Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F903

b:42.5
occ:1.00
 F20 E:XO8903 0.0 42.5 1.0
C19 E:XO8903 1.3 43.3 1.0
C21 E:XO8903 2.3 43.9 1.0
C18 E:XO8903 2.3 42.4 1.0
O22 E:XO8903 2.8 41.2 1.0
CB E:LYS615 3.2 35.7 1.0
C42 E:XO8903 3.6 44.8 1.0
CA E:LYS615 3.6 36.0 1.0
C17 E:XO8903 3.7 44.7 1.0
CG E:PRO510 3.9 43.5 1.0
C43 E:XO8903 4.0 46.4 1.0
CD E:LYS512 4.2 40.7 1.0
C23 E:XO8903 4.2 40.3 1.0
CE E:LYS615 4.3 35.2 1.0
C37 E:XO8903 4.4 37.5 1.0
N E:LYS615 4.5 34.2 1.0
CG E:LYS615 4.5 38.5 1.0
CD E:PRO510 4.6 44.5 1.0
C E:LYS615 4.8 36.6 1.0
N38 E:XO8903 4.8 35.6 1.0
O E:LYS615 4.9 38.6 1.0
C16 E:XO8903 4.9 47.4 1.0
CD E:LYS615 4.9 35.3 1.0

Fluorine binding site 10 out of 12 in 8uvq

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Fluorine binding site 10 out of 12 in the Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Down) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F903

b:49.4
occ:1.00
 F44 E:XO8903 0.0 49.4 1.0
C43 E:XO8903 1.3 46.4 1.0
C42 E:XO8903 2.3 44.8 1.0
C17 E:XO8903 2.3 44.7 1.0
C16 E:XO8903 2.9 47.4 1.0
C01 E:XO8903 3.2 48.3 1.0
C18 E:XO8903 3.6 42.4 1.0
C21 E:XO8903 3.6 43.9 1.0
O E:PRO500 3.7 55.7 1.0
CB E:PRO500 3.8 51.2 1.0
CB E:PHE503 4.0 51.1 1.0
N15 E:XO8903 4.0 47.1 1.0
C19 E:XO8903 4.0 43.3 1.0
CA E:PRO500 4.1 50.7 1.0
C E:PRO500 4.3 52.4 1.0
N02 E:XO8903 4.4 49.7 1.0
CD E:PRO510 4.5 44.5 1.0
CG E:PRO510 4.5 43.5 1.0
O E:PRO496 4.6 48.0 1.0
N E:LEU504 4.6 57.1 1.0
N03 E:XO8903 4.7 49.5 1.0
O22 E:XO8903 4.8 41.2 1.0
C E:PHE503 4.8 56.7 1.0
CB E:LEU504 4.9 55.7 1.0
CG E:PHE503 4.9 51.2 1.0
C23 E:XO8903 5.0 40.3 1.0
CA E:PHE503 5.0 54.2 1.0

Reference:

P.Nandi, K.Devore, F.Wang, S.Li, J.D.Walker, T.T.Truong, M.G.Laporte, P.Wipf, H.Schlager, J.Mccleerey, W.Paquette, R.C.A.Columbres, T.Gan, Y.P.Poh, P.Fromme, A.J.Flint, M.Wolf, D.M.Huryn, T.F.Chou, P.L.Chiu. Mechanism of Allosteric Inhibition of Human P97/Vcp Atpase and Its Disease Mutant By Triazole Inhibitors. Commun Chem V. 7 177 2024.
ISSN: ESSN 2399-3669
PubMed: 39122922
DOI: 10.1038/S42004-024-01267-3
Page generated: Sat Sep 28 20:34:17 2024

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