Fluorine in PDB 8uv2: Human P97/Vcp Structure with A Triazole Inhibitor (NSC799462/Hexamer)

Enzymatic activity of Human P97/Vcp Structure with A Triazole Inhibitor (NSC799462/Hexamer)

All present enzymatic activity of Human P97/Vcp Structure with A Triazole Inhibitor (NSC799462/Hexamer):
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 Structure with A Triazole Inhibitor (NSC799462/Hexamer) (pdb code 8uv2). 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 Structure with A Triazole Inhibitor (NSC799462/Hexamer), PDB code: 8uv2:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 8uv2

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Fluorine binding site 1 out of 12 in the Human P97/Vcp Structure with A Triazole Inhibitor (NSC799462/Hexamer)


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 Structure with A Triazole Inhibitor (NSC799462/Hexamer) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F903

b:35.6
occ:1.00
 F17 A:XKM903 0.0 35.6 1.0
C16 A:XKM903 1.3 31.6 1.0
C18 A:XKM903 2.2 22.6 1.0
C15 A:XKM903 2.3 32.0 1.0
C14 A:XKM903 2.8 20.9 1.0
CD1 A:LEU504 3.0 28.3 1.0
O A:PRO500 3.1 21.2 1.0
CB A:PRO500 3.3 26.8 1.0
CB A:PHE503 3.3 20.2 1.0
CA A:PRO500 3.4 21.7 1.0
C19 A:XKM903 3.4 27.6 1.0
C41 A:XKM903 3.5 34.9 1.0
C A:PRO500 3.7 21.3 1.0
C13 A:XKM903 3.7 22.4 1.0
C40 A:XKM903 4.0 29.2 1.0
N A:LEU504 4.1 29.5 1.0
C A:PHE503 4.2 26.0 1.0
CA A:PHE503 4.2 16.4 1.0
CG A:PHE503 4.3 22.8 1.0
O20 A:XKM903 4.4 36.1 1.0
CG A:LEU504 4.5 30.4 1.0
O A:PRO496 4.6 36.4 1.0
F42 A:XKM903 4.7 35.6 1.0
N A:PHE503 4.7 19.4 1.0
CG A:PRO500 4.7 31.1 1.0
O A:PHE503 4.7 32.3 1.0
N A:PRO500 4.8 18.4 1.0
CB A:LEU504 4.8 29.4 1.0
CA A:LEU504 4.9 30.4 1.0
CD1 A:PHE503 4.9 26.8 1.0
C12 A:XKM903 5.0 28.4 1.0
N A:ASP501 5.0 23.5 1.0

Fluorine binding site 2 out of 12 in 8uv2

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Fluorine binding site 2 out of 12 in the Human P97/Vcp Structure with A Triazole Inhibitor (NSC799462/Hexamer)


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 Structure with A Triazole Inhibitor (NSC799462/Hexamer) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F903

b:35.6
occ:1.00
 F42 A:XKM903 0.0 35.6 1.0
C41 A:XKM903 1.3 34.9 1.0
C40 A:XKM903 2.3 29.2 1.0
C15 A:XKM903 2.4 32.0 1.0
C14 A:XKM903 2.9 20.9 1.0
CD A:PRO510 3.4 23.9 1.0
C16 A:XKM903 3.5 31.6 1.0
C19 A:XKM903 3.5 27.6 1.0
C13 A:XKM903 3.7 22.4 1.0
NZ A:LYS615 3.8 20.3 1.0
CG A:PRO510 3.9 15.8 1.0
C18 A:XKM903 4.0 22.6 1.0
CE A:LYS615 4.0 23.1 1.0
CD A:LYS615 4.1 30.8 1.0
CA A:THR509 4.1 28.1 1.0
N A:PRO510 4.2 15.9 1.0
C A:THR509 4.5 21.0 1.0
N36 A:XKM903 4.5 28.0 1.0
F17 A:XKM903 4.7 35.6 1.0
O20 A:XKM903 4.7 36.1 1.0
C35 A:XKM903 4.8 32.0 1.0
N A:THR509 4.9 27.8 1.0
CB A:THR509 5.0 30.9 1.0

Fluorine binding site 3 out of 12 in 8uv2

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Fluorine binding site 3 out of 12 in the Human P97/Vcp Structure with A Triazole Inhibitor (NSC799462/Hexamer)


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 Structure with A Triazole Inhibitor (NSC799462/Hexamer) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F903

b:64.1
occ:1.00
 F17 B:XKM903 0.0 64.1 1.0
C16 B:XKM903 1.3 67.9 1.0
C18 B:XKM903 2.2 63.3 1.0
C15 B:XKM903 2.3 68.9 1.0
C14 B:XKM903 2.9 61.9 1.0
CD1 B:LEU504 3.0 31.8 1.0
O B:PRO500 3.1 28.3 1.0
CB B:PRO500 3.2 28.8 1.0
CB B:PHE503 3.3 19.9 1.0
CA B:PRO500 3.3 23.0 1.0
C19 B:XKM903 3.4 65.3 1.0
C41 B:XKM903 3.5 68.3 1.0
C B:PRO500 3.6 27.1 1.0
C13 B:XKM903 3.7 59.5 1.0
N B:LEU504 4.0 35.0 1.0
C40 B:XKM903 4.0 66.8 1.0
C B:PHE503 4.2 34.4 1.0
CA B:PHE503 4.3 25.9 1.0
CG B:PHE503 4.3 22.7 1.0
O20 B:XKM903 4.4 67.0 1.0
CG B:LEU504 4.5 40.5 1.0
O B:PRO496 4.6 39.8 1.0
F42 B:XKM903 4.7 64.7 1.0
N B:PHE503 4.7 26.2 1.0
CG B:PRO500 4.7 32.8 1.0
N B:PRO500 4.7 17.9 1.0
CB B:LEU504 4.8 37.5 1.0
CA B:LEU504 4.8 35.3 1.0
CD1 B:PHE503 4.8 31.4 1.0
O B:PHE503 4.9 36.6 1.0
N B:ASP501 4.9 30.1 1.0
C12 B:XKM903 5.0 62.3 1.0

Fluorine binding site 4 out of 12 in 8uv2

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Fluorine binding site 4 out of 12 in the Human P97/Vcp Structure with A Triazole Inhibitor (NSC799462/Hexamer)


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 Structure with A Triazole Inhibitor (NSC799462/Hexamer) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F903

b:64.7
occ:1.00
 F42 B:XKM903 0.0 64.7 1.0
C41 B:XKM903 1.3 68.3 1.0
C40 B:XKM903 2.3 66.8 1.0
C15 B:XKM903 2.4 68.9 1.0
C14 B:XKM903 2.9 61.9 1.0
CD B:PRO510 3.4 33.0 1.0
C16 B:XKM903 3.5 67.9 1.0
C19 B:XKM903 3.5 65.3 1.0
C13 B:XKM903 3.7 59.5 1.0
NZ B:LYS615 3.9 28.2 1.0
CG B:PRO510 3.9 20.4 1.0
C18 B:XKM903 4.0 63.3 1.0
CE B:LYS615 4.0 27.8 1.0
CD B:LYS615 4.1 30.6 1.0
CA B:THR509 4.1 35.4 1.0
N B:PRO510 4.2 25.7 1.0
N36 B:XKM903 4.5 64.6 1.0
C B:THR509 4.5 29.2 1.0
F17 B:XKM903 4.7 64.1 1.0
C35 B:XKM903 4.7 63.5 1.0
O20 B:XKM903 4.7 67.0 1.0
N B:THR509 4.9 35.8 1.0

Fluorine binding site 5 out of 12 in 8uv2

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Fluorine binding site 5 out of 12 in the Human P97/Vcp Structure with A Triazole Inhibitor (NSC799462/Hexamer)


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 Structure with A Triazole Inhibitor (NSC799462/Hexamer) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F903

b:64.0
occ:1.00
 F17 C:XKM903 0.0 64.0 1.0
C16 C:XKM903 1.3 68.5 1.0
C18 C:XKM903 2.2 65.9 1.0
C15 C:XKM903 2.3 69.6 1.0
C14 C:XKM903 2.9 61.3 1.0
O C:PRO500 3.0 27.2 1.0
CD1 C:LEU504 3.0 30.0 1.0
CB C:PRO500 3.3 23.2 1.0
CB C:PHE503 3.3 17.6 1.0
CA C:PRO500 3.4 19.5 1.0
C19 C:XKM903 3.4 68.0 1.0
C41 C:XKM903 3.5 69.1 1.0
C C:PRO500 3.6 23.9 1.0
C13 C:XKM903 3.7 58.6 1.0
N C:LEU504 4.0 31.1 1.0
C40 C:XKM903 4.0 67.6 1.0
C C:PHE503 4.2 31.4 1.0
CA C:PHE503 4.3 23.8 1.0
CG C:PHE503 4.3 22.8 1.0
O20 C:XKM903 4.4 68.8 1.0
CG C:LEU504 4.5 36.7 1.0
O C:PRO496 4.6 33.5 1.0
F42 C:XKM903 4.7 64.8 1.0
N C:PHE503 4.7 25.4 1.0
CG C:PRO500 4.7 30.5 1.0
N C:PRO500 4.8 17.0 1.0
CB C:LEU504 4.8 35.2 1.0
CA C:LEU504 4.8 33.7 1.0
CD1 C:PHE503 4.9 29.4 1.0
O C:PHE503 4.9 35.0 1.0
N C:ASP501 4.9 22.8 1.0
C12 C:XKM903 5.0 63.2 1.0

Fluorine binding site 6 out of 12 in 8uv2

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Fluorine binding site 6 out of 12 in the Human P97/Vcp Structure with A Triazole Inhibitor (NSC799462/Hexamer)


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 Structure with A Triazole Inhibitor (NSC799462/Hexamer) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F903

b:64.8
occ:1.00
 F42 C:XKM903 0.0 64.8 1.0
C41 C:XKM903 1.3 69.1 1.0
C40 C:XKM903 2.3 67.6 1.0
C15 C:XKM903 2.4 69.6 1.0
C14 C:XKM903 2.9 61.3 1.0
CD C:PRO510 3.4 27.1 1.0
C16 C:XKM903 3.5 68.5 1.0
C19 C:XKM903 3.5 68.0 1.0
C13 C:XKM903 3.7 58.6 1.0
NZ C:LYS615 3.8 22.8 1.0
CG C:PRO510 3.9 17.0 1.0
C18 C:XKM903 4.0 65.9 1.0
CE C:LYS615 4.0 22.6 1.0
CD C:LYS615 4.1 27.4 1.0
CA C:THR509 4.1 29.5 1.0
N C:PRO510 4.2 20.9 1.0
N36 C:XKM903 4.5 64.6 1.0
C C:THR509 4.5 23.9 1.0
F17 C:XKM903 4.7 64.0 1.0
O20 C:XKM903 4.7 68.8 1.0
C35 C:XKM903 4.7 65.3 1.0
N C:THR509 4.9 30.1 1.0
CB C:THR509 5.0 34.7 1.0

Fluorine binding site 7 out of 12 in 8uv2

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Fluorine binding site 7 out of 12 in the Human P97/Vcp Structure with A Triazole Inhibitor (NSC799462/Hexamer)


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 Structure with A Triazole Inhibitor (NSC799462/Hexamer) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F903

b:60.7
occ:1.00
 F17 D:XKM903 0.0 60.7 1.0
C16 D:XKM903 1.3 64.4 1.0
C18 D:XKM903 2.2 62.7 1.0
C15 D:XKM903 2.3 64.8 1.0
C14 D:XKM903 2.9 60.5 1.0
CD1 D:LEU504 3.0 26.3 1.0
O D:PRO500 3.1 21.5 1.0
CB D:PRO500 3.3 21.2 1.0
CB D:PHE503 3.3 19.0 1.0
CA D:PRO500 3.4 17.9 1.0
C19 D:XKM903 3.4 64.7 1.0
C41 D:XKM903 3.5 64.4 1.0
C D:PRO500 3.7 20.3 1.0
C13 D:XKM903 3.7 59.2 1.0
C40 D:XKM903 4.0 64.4 1.0
N D:LEU504 4.1 26.2 1.0
C D:PHE503 4.2 24.2 1.0
CA D:PHE503 4.2 20.1 1.0
CG D:PHE503 4.3 19.0 1.0
O20 D:XKM903 4.4 65.5 1.0
CG D:LEU504 4.5 27.8 1.0
O D:PRO496 4.6 24.8 1.0
F42 D:XKM903 4.7 62.0 1.0
N D:PHE503 4.7 19.4 1.0
CG D:PRO500 4.7 24.3 1.0
O D:PHE503 4.7 26.8 1.0
N D:PRO500 4.8 16.0 1.0
CB D:LEU504 4.8 26.3 1.0
CA D:LEU504 4.9 26.4 1.0
CD1 D:PHE503 4.9 22.4 1.0
C12 D:XKM903 5.0 60.4 1.0
N D:ASP501 5.0 22.2 1.0

Fluorine binding site 8 out of 12 in 8uv2

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Fluorine binding site 8 out of 12 in the Human P97/Vcp Structure with A Triazole Inhibitor (NSC799462/Hexamer)


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 Structure with A Triazole Inhibitor (NSC799462/Hexamer) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F903

b:62.0
occ:1.00
 F42 D:XKM903 0.0 62.0 1.0
C41 D:XKM903 1.3 64.4 1.0
C40 D:XKM903 2.3 64.4 1.0
C15 D:XKM903 2.4 64.8 1.0
C14 D:XKM903 2.9 60.5 1.0
CD D:PRO510 3.4 19.9 1.0
C16 D:XKM903 3.5 64.4 1.0
C19 D:XKM903 3.5 64.7 1.0
C13 D:XKM903 3.7 59.2 1.0
NZ D:LYS615 3.8 19.3 1.0
CG D:PRO510 3.9 12.2 1.0
C18 D:XKM903 4.0 62.7 1.0
CE D:LYS615 4.0 18.2 1.0
CD D:LYS615 4.1 23.2 1.0
CA D:THR509 4.1 23.9 1.0
N D:PRO510 4.2 16.2 1.0
C D:THR509 4.5 20.5 1.0
N36 D:XKM903 4.5 62.0 1.0
F17 D:XKM903 4.7 60.7 1.0
O20 D:XKM903 4.7 65.5 1.0
C35 D:XKM903 4.8 61.5 1.0
N D:THR509 4.9 23.6 1.0
CB D:THR509 5.0 27.1 1.0

Fluorine binding site 9 out of 12 in 8uv2

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Fluorine binding site 9 out of 12 in the Human P97/Vcp Structure with A Triazole Inhibitor (NSC799462/Hexamer)


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 Structure with A Triazole Inhibitor (NSC799462/Hexamer) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F903

b:57.9
occ:1.00
 F17 E:XKM903 0.0 57.9 1.0
C16 E:XKM903 1.3 61.0 1.0
C18 E:XKM903 2.2 58.7 1.0
C15 E:XKM903 2.3 63.0 1.0
C14 E:XKM903 2.9 59.5 1.0
CD1 E:LEU504 3.0 32.8 1.0
O E:PRO500 3.1 30.2 1.0
CB E:PRO500 3.2 30.7 1.0
CB E:PHE503 3.3 22.4 1.0
CA E:PRO500 3.3 24.8 1.0
C19 E:XKM903 3.4 60.6 1.0
C41 E:XKM903 3.5 62.9 1.0
C E:PRO500 3.6 28.5 1.0
C13 E:XKM903 3.7 57.6 1.0
N E:LEU504 4.0 36.2 1.0
C40 E:XKM903 4.0 62.3 1.0
C E:PHE503 4.2 35.1 1.0
CA E:PHE503 4.3 26.6 1.0
CG E:PHE503 4.3 25.8 1.0
O20 E:XKM903 4.4 61.1 1.0
CG E:LEU504 4.5 40.4 1.0
O E:PRO496 4.6 41.1 1.0
F42 E:XKM903 4.7 59.5 1.0
N E:PHE503 4.7 27.9 1.0
CG E:PRO500 4.7 34.0 1.0
N E:PRO500 4.7 20.9 1.0
CB E:LEU504 4.8 37.6 1.0
CA E:LEU504 4.8 36.0 1.0
CD1 E:PHE503 4.8 33.5 1.0
O E:PHE503 4.9 37.7 1.0
N E:ASP501 4.9 31.5 1.0
C12 E:XKM903 5.0 57.8 1.0

Fluorine binding site 10 out of 12 in 8uv2

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Fluorine binding site 10 out of 12 in the Human P97/Vcp Structure with A Triazole Inhibitor (NSC799462/Hexamer)


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 Structure with A Triazole Inhibitor (NSC799462/Hexamer) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F903

b:59.5
occ:1.00
 F42 E:XKM903 0.0 59.5 1.0
C41 E:XKM903 1.3 62.9 1.0
C40 E:XKM903 2.3 62.3 1.0
C15 E:XKM903 2.4 63.0 1.0
C14 E:XKM903 2.9 59.5 1.0
CD E:PRO510 3.4 33.6 1.0
C16 E:XKM903 3.5 61.0 1.0
C19 E:XKM903 3.5 60.6 1.0
C13 E:XKM903 3.7 57.6 1.0
NZ E:LYS615 3.9 29.6 1.0
CG E:PRO510 3.9 22.7 1.0
C18 E:XKM903 4.0 58.7 1.0
CE E:LYS615 4.0 29.8 1.0
CD E:LYS615 4.1 32.8 1.0
CA E:THR509 4.1 37.3 1.0
N E:PRO510 4.2 27.2 1.0
N36 E:XKM903 4.5 59.5 1.0
C E:THR509 4.5 31.8 1.0
F17 E:XKM903 4.7 57.9 1.0
C35 E:XKM903 4.7 59.2 1.0
O20 E:XKM903 4.7 61.1 1.0
N E:THR509 4.9 37.7 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 20:34:16 2024

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