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

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

All present enzymatic activity of Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC819701/Up):
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/Up) (pdb code 8uvp). 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/Up), PDB code: 8uvp:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 8uvp

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


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/Up) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F903

b:65.7
occ:1.00
 F20 A:XO8903 0.0 65.7 1.0
C19 A:XO8903 1.3 65.7 1.0
C21 A:XO8903 2.3 65.7 1.0
C18 A:XO8903 2.3 65.7 1.0
O22 A:XO8903 2.8 65.7 1.0
CB A:LYS615 3.2 62.3 1.0
CG A:LYS615 3.2 62.3 1.0
C42 A:XO8903 3.6 65.7 1.0
C17 A:XO8903 3.7 65.7 1.0
CA A:LYS615 3.8 62.3 1.0
CD A:LYS615 3.8 62.3 1.0
C37 A:XO8903 4.0 65.7 1.0
C23 A:XO8903 4.0 65.7 1.0
C43 A:XO8903 4.0 65.7 1.0
N38 A:XO8903 4.0 65.7 1.0
CG A:PRO510 4.2 66.3 1.0
CE A:LYS615 4.3 62.3 1.0
CD A:PRO510 4.3 66.3 1.0
CD A:LYS512 4.4 57.2 1.0
C36 A:XO8903 4.5 65.7 1.0
C A:LYS615 4.5 62.3 1.0
C39 A:XO8903 4.6 65.7 1.0
O A:LYS615 4.6 62.3 1.0
CB A:PRO510 4.8 66.3 1.0
C24 A:XO8903 4.8 65.7 1.0
C16 A:XO8903 4.9 65.7 1.0
N A:LYS615 4.9 62.3 1.0
C41 A:XO8903 4.9 65.7 1.0

Fluorine binding site 2 out of 12 in 8uvp

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


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/Up) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F903

b:65.7
occ:1.00
 F44 A:XO8903 0.0 65.7 1.0
C43 A:XO8903 1.3 65.7 1.0
C42 A:XO8903 2.3 65.7 1.0
C17 A:XO8903 2.3 65.7 1.0
C16 A:XO8903 2.9 65.7 1.0
C01 A:XO8903 3.2 65.7 1.0
O A:PRO500 3.5 72.5 1.0
C18 A:XO8903 3.6 65.7 1.0
C21 A:XO8903 3.6 65.7 1.0
CB A:PRO500 3.8 72.5 1.0
CA A:PRO500 3.9 72.5 1.0
C19 A:XO8903 4.0 65.7 1.0
N15 A:XO8903 4.0 65.7 1.0
C A:PRO500 4.1 72.5 1.0
N02 A:XO8903 4.4 65.7 1.0
CB A:PHE503 4.4 71.3 1.0
N03 A:XO8903 4.7 65.7 1.0
O22 A:XO8903 4.8 65.7 1.0
NH1 F:ARG453 4.9 89.6 1.0
O A:PRO496 5.0 65.4 1.0

Fluorine binding site 3 out of 12 in 8uvp

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


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/Up) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F903

b:65.7
occ:1.00
 F20 B:XO8903 0.0 65.7 1.0
C19 B:XO8903 1.3 65.7 1.0
C21 B:XO8903 2.3 65.7 1.0
C18 B:XO8903 2.3 65.7 1.0
O22 B:XO8903 2.8 65.7 1.0
CB B:LYS615 3.2 62.3 1.0
CG B:LYS615 3.2 62.3 1.0
C42 B:XO8903 3.6 65.7 1.0
C17 B:XO8903 3.7 65.7 1.0
CA B:LYS615 3.8 62.3 1.0
CD B:LYS615 3.8 62.3 1.0
C37 B:XO8903 4.0 65.7 1.0
C23 B:XO8903 4.0 65.7 1.0
C43 B:XO8903 4.0 65.7 1.0
N38 B:XO8903 4.0 65.7 1.0
CG B:PRO510 4.2 66.3 1.0
CE B:LYS615 4.3 62.3 1.0
CD B:PRO510 4.3 66.3 1.0
CD B:LYS512 4.4 57.2 1.0
C36 B:XO8903 4.5 65.7 1.0
C B:LYS615 4.5 62.3 1.0
C39 B:XO8903 4.6 65.7 1.0
O B:LYS615 4.6 62.3 1.0
CB B:PRO510 4.8 66.3 1.0
C24 B:XO8903 4.8 65.7 1.0
C16 B:XO8903 4.9 65.7 1.0
N B:LYS615 4.9 62.3 1.0
C41 B:XO8903 4.9 65.7 1.0

Fluorine binding site 4 out of 12 in 8uvp

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


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/Up) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F903

b:65.7
occ:1.00
 F44 B:XO8903 0.0 65.7 1.0
C43 B:XO8903 1.3 65.7 1.0
C42 B:XO8903 2.3 65.7 1.0
C17 B:XO8903 2.3 65.7 1.0
C16 B:XO8903 2.9 65.7 1.0
C01 B:XO8903 3.2 65.7 1.0
O B:PRO500 3.5 72.5 1.0
C18 B:XO8903 3.6 65.7 1.0
C21 B:XO8903 3.6 65.7 1.0
CB B:PRO500 3.8 72.5 1.0
CA B:PRO500 3.9 72.5 1.0
C19 B:XO8903 4.0 65.7 1.0
N15 B:XO8903 4.0 65.7 1.0
C B:PRO500 4.1 72.5 1.0
N02 B:XO8903 4.4 65.7 1.0
CB B:PHE503 4.4 71.3 1.0
N03 B:XO8903 4.7 65.7 1.0
O22 B:XO8903 4.8 65.7 1.0
NH1 A:ARG453 4.9 89.6 1.0
O B:PRO496 5.0 65.4 1.0

Fluorine binding site 5 out of 12 in 8uvp

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


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/Up) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F903

b:65.7
occ:1.00
 F20 C:XO8903 0.0 65.7 1.0
C19 C:XO8903 1.3 65.7 1.0
C21 C:XO8903 2.3 65.7 1.0
C18 C:XO8903 2.3 65.7 1.0
O22 C:XO8903 2.8 65.7 1.0
CB C:LYS615 3.2 62.3 1.0
CG C:LYS615 3.2 62.3 1.0
C42 C:XO8903 3.6 65.7 1.0
C17 C:XO8903 3.7 65.7 1.0
CA C:LYS615 3.8 62.3 1.0
CD C:LYS615 3.8 62.3 1.0
C37 C:XO8903 4.0 65.7 1.0
C23 C:XO8903 4.0 65.7 1.0
C43 C:XO8903 4.0 65.7 1.0
N38 C:XO8903 4.0 65.7 1.0
CG C:PRO510 4.2 66.3 1.0
CE C:LYS615 4.3 62.3 1.0
CD C:PRO510 4.3 66.3 1.0
CD C:LYS512 4.4 57.2 1.0
C36 C:XO8903 4.5 65.7 1.0
C C:LYS615 4.5 62.3 1.0
C39 C:XO8903 4.6 65.7 1.0
O C:LYS615 4.6 62.3 1.0
CB C:PRO510 4.8 66.3 1.0
C24 C:XO8903 4.8 65.7 1.0
C16 C:XO8903 4.9 65.7 1.0
N C:LYS615 4.9 62.3 1.0
C41 C:XO8903 4.9 65.7 1.0

Fluorine binding site 6 out of 12 in 8uvp

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


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/Up) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F903

b:65.7
occ:1.00
 F44 C:XO8903 0.0 65.7 1.0
C43 C:XO8903 1.3 65.7 1.0
C42 C:XO8903 2.3 65.7 1.0
C17 C:XO8903 2.3 65.7 1.0
C16 C:XO8903 2.9 65.7 1.0
C01 C:XO8903 3.2 65.7 1.0
O C:PRO500 3.5 72.5 1.0
C18 C:XO8903 3.6 65.7 1.0
C21 C:XO8903 3.6 65.7 1.0
CB C:PRO500 3.8 72.5 1.0
CA C:PRO500 3.9 72.5 1.0
C19 C:XO8903 4.0 65.7 1.0
N15 C:XO8903 4.0 65.7 1.0
C C:PRO500 4.1 72.5 1.0
N02 C:XO8903 4.4 65.7 1.0
CB C:PHE503 4.4 71.3 1.0
N03 C:XO8903 4.7 65.7 1.0
O22 C:XO8903 4.8 65.7 1.0
NH1 B:ARG453 4.9 89.6 1.0
O C:PRO496 5.0 65.4 1.0

Fluorine binding site 7 out of 12 in 8uvp

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


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/Up) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F903

b:65.7
occ:1.00
 F20 D:XO8903 0.0 65.7 1.0
C19 D:XO8903 1.3 65.7 1.0
C21 D:XO8903 2.3 65.7 1.0
C18 D:XO8903 2.3 65.7 1.0
O22 D:XO8903 2.8 65.7 1.0
CB D:LYS615 3.2 62.3 1.0
CG D:LYS615 3.2 62.3 1.0
C42 D:XO8903 3.6 65.7 1.0
C17 D:XO8903 3.7 65.7 1.0
CA D:LYS615 3.8 62.3 1.0
CD D:LYS615 3.8 62.3 1.0
C37 D:XO8903 4.0 65.7 1.0
C23 D:XO8903 4.0 65.7 1.0
C43 D:XO8903 4.0 65.7 1.0
N38 D:XO8903 4.0 65.7 1.0
CG D:PRO510 4.2 66.3 1.0
CE D:LYS615 4.3 62.3 1.0
CD D:PRO510 4.3 66.3 1.0
CD D:LYS512 4.4 57.2 1.0
C36 D:XO8903 4.5 65.7 1.0
C D:LYS615 4.5 62.3 1.0
C39 D:XO8903 4.6 65.7 1.0
O D:LYS615 4.6 62.3 1.0
CB D:PRO510 4.8 66.3 1.0
C24 D:XO8903 4.8 65.7 1.0
C16 D:XO8903 4.9 65.7 1.0
N D:LYS615 4.9 62.3 1.0
C41 D:XO8903 4.9 65.7 1.0

Fluorine binding site 8 out of 12 in 8uvp

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


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/Up) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F903

b:65.7
occ:1.00
 F44 D:XO8903 0.0 65.7 1.0
C43 D:XO8903 1.3 65.7 1.0
C42 D:XO8903 2.3 65.7 1.0
C17 D:XO8903 2.3 65.7 1.0
C16 D:XO8903 2.9 65.7 1.0
C01 D:XO8903 3.2 65.7 1.0
O D:PRO500 3.5 72.5 1.0
C18 D:XO8903 3.6 65.7 1.0
C21 D:XO8903 3.6 65.7 1.0
CB D:PRO500 3.8 72.5 1.0
CA D:PRO500 3.9 72.5 1.0
C19 D:XO8903 4.0 65.7 1.0
N15 D:XO8903 4.0 65.7 1.0
C D:PRO500 4.1 72.5 1.0
N02 D:XO8903 4.4 65.7 1.0
CB D:PHE503 4.4 71.3 1.0
N03 D:XO8903 4.7 65.7 1.0
O22 D:XO8903 4.8 65.7 1.0
NH1 C:ARG453 4.9 89.6 1.0
O D:PRO496 5.0 65.4 1.0

Fluorine binding site 9 out of 12 in 8uvp

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


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/Up) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F903

b:65.7
occ:1.00
 F20 E:XO8903 0.0 65.7 1.0
C19 E:XO8903 1.3 65.7 1.0
C21 E:XO8903 2.3 65.7 1.0
C18 E:XO8903 2.3 65.7 1.0
O22 E:XO8903 2.8 65.7 1.0
CB E:LYS615 3.2 62.3 1.0
CG E:LYS615 3.2 62.3 1.0
C42 E:XO8903 3.6 65.7 1.0
C17 E:XO8903 3.7 65.7 1.0
CA E:LYS615 3.8 62.3 1.0
CD E:LYS615 3.8 62.3 1.0
C37 E:XO8903 4.0 65.7 1.0
C23 E:XO8903 4.0 65.7 1.0
C43 E:XO8903 4.0 65.7 1.0
N38 E:XO8903 4.0 65.7 1.0
CG E:PRO510 4.2 66.3 1.0
CE E:LYS615 4.3 62.3 1.0
CD E:PRO510 4.3 66.3 1.0
CD E:LYS512 4.4 57.2 1.0
C36 E:XO8903 4.5 65.7 1.0
C E:LYS615 4.5 62.3 1.0
C39 E:XO8903 4.6 65.7 1.0
O E:LYS615 4.6 62.3 1.0
CB E:PRO510 4.8 66.3 1.0
C24 E:XO8903 4.8 65.7 1.0
C16 E:XO8903 4.9 65.7 1.0
N E:LYS615 4.9 62.3 1.0
C41 E:XO8903 4.9 65.7 1.0

Fluorine binding site 10 out of 12 in 8uvp

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


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/Up) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F903

b:65.7
occ:1.00
 F44 E:XO8903 0.0 65.7 1.0
C43 E:XO8903 1.3 65.7 1.0
C42 E:XO8903 2.3 65.7 1.0
C17 E:XO8903 2.3 65.7 1.0
C16 E:XO8903 2.9 65.7 1.0
C01 E:XO8903 3.2 65.7 1.0
O E:PRO500 3.5 72.5 1.0
C18 E:XO8903 3.6 65.7 1.0
C21 E:XO8903 3.6 65.7 1.0
CB E:PRO500 3.8 72.5 1.0
CA E:PRO500 3.9 72.5 1.0
C19 E:XO8903 4.0 65.7 1.0
N15 E:XO8903 4.0 65.7 1.0
C E:PRO500 4.1 72.5 1.0
N02 E:XO8903 4.4 65.7 1.0
CB E:PHE503 4.4 71.3 1.0
N03 E:XO8903 4.7 65.7 1.0
O22 E:XO8903 4.8 65.7 1.0
NH1 D:ARG453 4.9 89.6 1.0
O E:PRO496 5.0 65.4 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 20:34:24 2024

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