Fluorine in PDB 8uvo: Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC804515)

Enzymatic activity of Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC804515)

All present enzymatic activity of Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC804515):
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 (NSC804515) (pdb code 8uvo). 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 (NSC804515), PDB code: 8uvo:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 8uvo

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Fluorine binding site 1 out of 12 in the Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC804515)


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 (NSC804515) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F903

b:147.9
occ:1.00
 F12 A:XNU903 0.0 147.9 1.0
C11 A:XNU903 1.4 148.3 1.0
C10 A:XNU903 2.4 145.9 1.0
C13 A:XNU903 2.4 149.2 1.0
O14 A:XNU903 2.8 154.4 1.0
CB A:LYS615 3.0 133.1 1.0
C33 A:XNU903 3.5 138.5 1.0
C09 A:XNU903 3.6 144.4 1.0
C34 A:XNU903 3.7 144.0 1.0
C32 A:XNU903 3.7 142.2 1.0
CA A:LYS615 3.9 132.2 1.0
CD A:LYS615 4.0 136.0 1.0
CG A:PRO510 4.1 145.8 1.0
CG A:LYS615 4.1 131.9 1.0
C35 A:XNU903 4.1 143.7 1.0
C15 A:XNU903 4.1 150.9 1.0
CD A:PRO510 4.6 142.1 1.0
O A:LYS615 4.7 138.1 1.0
C28 A:XNU903 4.7 128.4 1.0
CD A:LYS512 4.7 129.9 1.0
C A:LYS615 4.8 133.6 1.0
CG A:LYS512 4.8 119.7 1.0
C08 A:XNU903 4.9 140.8 1.0
N A:LYS615 4.9 126.6 1.0
C16 A:XNU903 5.0 146.3 1.0

Fluorine binding site 2 out of 12 in 8uvo

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Fluorine binding site 2 out of 12 in the Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC804515)


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 (NSC804515) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F903

b:143.8
occ:1.00
 F36 A:XNU903 0.0 143.8 1.0
C35 A:XNU903 1.4 143.7 1.0
C09 A:XNU903 2.4 144.4 1.0
C34 A:XNU903 2.4 144.0 1.0
C08 A:XNU903 2.9 140.8 1.0
C10 A:XNU903 3.6 145.9 1.0
C13 A:XNU903 3.7 149.2 1.0
C07 A:XNU903 3.7 141.2 1.0
CB A:PRO500 3.9 148.8 1.0
O A:PRO500 3.9 151.2 1.0
CD2 A:LEU504 3.9 147.1 1.0
CA A:PRO500 4.1 150.0 1.0
C11 A:XNU903 4.1 148.3 1.0
CG A:LEU504 4.2 150.0 1.0
CB A:PHE503 4.2 135.4 1.0
C A:PRO500 4.4 149.9 1.0
O14 A:XNU903 4.8 154.4 1.0
N A:LEU504 4.8 153.6 1.0
CD A:PRO510 4.9 142.1 1.0
C15 A:XNU903 4.9 150.9 1.0
CD1 A:LEU504 4.9 150.6 1.0
C06 A:XNU903 4.9 147.3 1.0
CG A:PRO510 5.0 145.8 1.0

Fluorine binding site 3 out of 12 in 8uvo

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Fluorine binding site 3 out of 12 in the Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC804515)


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 (NSC804515) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F903

b:160.1
occ:1.00
 F12 B:XNU903 0.0 160.1 1.0
C11 B:XNU903 1.4 157.5 1.0
C10 B:XNU903 2.4 152.3 1.0
C13 B:XNU903 2.4 156.2 1.0
O14 B:XNU903 2.8 161.3 1.0
CB B:LYS615 3.0 112.7 1.0
C33 B:XNU903 3.5 145.9 1.0
C09 B:XNU903 3.6 146.4 1.0
C34 B:XNU903 3.7 151.5 1.0
C32 B:XNU903 3.7 149.2 1.0
CA B:LYS615 3.9 110.3 1.0
CD B:LYS615 4.0 115.8 1.0
CG B:PRO510 4.0 123.1 1.0
CG B:LYS615 4.1 111.7 1.0
C35 B:XNU903 4.1 150.1 1.0
C15 B:XNU903 4.1 157.4 1.0
CD B:PRO510 4.5 119.0 1.0
O B:LYS615 4.6 115.0 1.0
C28 B:XNU903 4.7 138.3 1.0
CD B:LYS512 4.7 103.3 1.0
C B:LYS615 4.8 110.6 1.0
CG B:LYS512 4.8 97.8 1.0
C08 B:XNU903 4.9 143.6 1.0
N B:LYS615 4.9 109.7 1.0
C16 B:XNU903 5.0 151.1 1.0

Fluorine binding site 4 out of 12 in 8uvo

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Fluorine binding site 4 out of 12 in the Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC804515)


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 (NSC804515) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F903

b:153.8
occ:1.00
 F36 B:XNU903 0.0 153.8 1.0
C35 B:XNU903 1.4 150.1 1.0
C09 B:XNU903 2.4 146.4 1.0
C34 B:XNU903 2.4 151.5 1.0
C08 B:XNU903 2.9 143.6 1.0
C10 B:XNU903 3.6 152.3 1.0
C13 B:XNU903 3.7 156.2 1.0
C07 B:XNU903 3.7 147.8 1.0
O B:PRO500 3.9 131.0 1.0
CB B:PRO500 3.9 128.8 1.0
CD2 B:LEU504 3.9 124.4 1.0
CA B:PRO500 4.1 131.0 1.0
C11 B:XNU903 4.1 157.5 1.0
CG B:LEU504 4.1 125.6 1.0
CB B:PHE503 4.2 110.5 1.0
C B:PRO500 4.4 130.5 1.0
O14 B:XNU903 4.8 161.3 1.0
N B:LEU504 4.8 129.1 1.0
CD B:PRO510 4.9 119.0 1.0
C15 B:XNU903 4.9 157.4 1.0
CD1 B:LEU504 4.9 124.9 1.0
C06 B:XNU903 4.9 153.1 1.0

Fluorine binding site 5 out of 12 in 8uvo

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Fluorine binding site 5 out of 12 in the Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC804515)


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 (NSC804515) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F903

b:141.4
occ:1.00
 F12 C:XNU903 0.0 141.4 1.0
C11 C:XNU903 1.4 139.3 1.0
C10 C:XNU903 2.4 134.7 1.0
C13 C:XNU903 2.4 137.7 1.0
O14 C:XNU903 2.8 141.9 1.0
CB C:LYS615 3.0 116.6 1.0
C33 C:XNU903 3.5 128.1 1.0
C09 C:XNU903 3.6 127.5 1.0
C34 C:XNU903 3.7 132.8 1.0
C32 C:XNU903 3.7 130.4 1.0
CA C:LYS615 3.9 115.2 1.0
CD C:LYS615 4.0 115.6 1.0
CG C:PRO510 4.0 126.4 1.0
CG C:LYS615 4.1 115.1 1.0
C35 C:XNU903 4.1 129.9 1.0
C15 C:XNU903 4.1 138.3 1.0
CD C:PRO510 4.6 122.0 1.0
O C:LYS615 4.7 123.2 1.0
C28 C:XNU903 4.7 122.6 1.0
CD C:LYS512 4.7 109.3 1.0
C C:LYS615 4.8 115.0 1.0
CG C:LYS512 4.8 100.8 1.0
C08 C:XNU903 4.9 124.8 1.0
N C:LYS615 4.9 112.6 1.0
C16 C:XNU903 5.0 132.7 1.0
C31 C:XNU903 5.0 131.0 1.0

Fluorine binding site 6 out of 12 in 8uvo

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Fluorine binding site 6 out of 12 in the Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC804515)


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 (NSC804515) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F903

b:132.0
occ:1.00
 F36 C:XNU903 0.0 132.0 1.0
C35 C:XNU903 1.4 129.9 1.0
C09 C:XNU903 2.4 127.5 1.0
C34 C:XNU903 2.4 132.8 1.0
C08 C:XNU903 2.9 124.8 1.0
C10 C:XNU903 3.6 134.7 1.0
C13 C:XNU903 3.7 137.7 1.0
C07 C:XNU903 3.7 130.0 1.0
O C:PRO500 3.9 127.4 1.0
CB C:PRO500 3.9 124.5 1.0
CD2 C:LEU504 3.9 120.6 1.0
CA C:PRO500 4.1 125.0 1.0
C11 C:XNU903 4.1 139.3 1.0
CG C:LEU504 4.1 124.9 1.0
CB C:PHE503 4.2 113.1 1.0
C C:PRO500 4.4 123.6 1.0
O14 C:XNU903 4.8 141.9 1.0
N C:LEU504 4.8 126.7 1.0
CD C:PRO510 4.9 122.0 1.0
CD1 C:LEU504 4.9 124.5 1.0
C15 C:XNU903 4.9 138.3 1.0
C06 C:XNU903 4.9 135.9 1.0

Fluorine binding site 7 out of 12 in 8uvo

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Fluorine binding site 7 out of 12 in the Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC804515)


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 (NSC804515) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F903

b:135.9
occ:1.00
 F12 D:XNU903 0.0 135.9 1.0
C11 D:XNU903 1.4 132.3 1.0
C10 D:XNU903 2.4 127.2 1.0
C13 D:XNU903 2.4 133.1 1.0
O14 D:XNU903 2.8 139.3 1.0
CB D:LYS615 3.0 128.8 1.0
C33 D:XNU903 3.5 122.1 1.0
C09 D:XNU903 3.6 122.2 1.0
C34 D:XNU903 3.7 128.5 1.0
C32 D:XNU903 3.7 122.4 1.0
CA D:LYS615 3.9 127.9 1.0
CD D:LYS615 4.0 131.5 1.0
CG D:PRO510 4.0 138.7 1.0
CG D:LYS615 4.1 128.3 1.0
C35 D:XNU903 4.1 126.7 1.0
C15 D:XNU903 4.1 135.1 1.0
CD D:PRO510 4.6 133.7 1.0
O D:LYS615 4.6 133.2 1.0
C28 D:XNU903 4.7 116.2 1.0
CD D:LYS512 4.7 124.3 1.0
C D:LYS615 4.8 129.1 1.0
CG D:LYS512 4.8 114.6 1.0
C08 D:XNU903 4.9 119.5 1.0
N D:LYS615 4.9 123.4 1.0
C16 D:XNU903 5.0 129.5 1.0

Fluorine binding site 8 out of 12 in 8uvo

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Fluorine binding site 8 out of 12 in the Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC804515)


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 (NSC804515) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F903

b:129.9
occ:1.00
 F36 D:XNU903 0.0 129.9 1.0
C35 D:XNU903 1.4 126.7 1.0
C09 D:XNU903 2.4 122.2 1.0
C34 D:XNU903 2.4 128.5 1.0
C08 D:XNU903 2.9 119.5 1.0
C10 D:XNU903 3.6 127.2 1.0
C13 D:XNU903 3.7 133.1 1.0
C07 D:XNU903 3.7 124.0 1.0
CB D:PRO500 3.9 143.0 1.0
O D:PRO500 3.9 147.2 1.0
CD2 D:LEU504 3.9 142.4 1.0
CA D:PRO500 4.1 145.1 1.0
C11 D:XNU903 4.1 132.3 1.0
CG D:LEU504 4.2 145.6 1.0
CB D:PHE503 4.2 132.2 1.0
C D:PRO500 4.4 145.6 1.0
O14 D:XNU903 4.8 139.3 1.0
N D:LEU504 4.8 148.9 1.0
CD D:PRO510 4.9 133.7 1.0
C15 D:XNU903 4.9 135.1 1.0
CD1 D:LEU504 4.9 146.0 1.0
C06 D:XNU903 4.9 130.1 1.0

Fluorine binding site 9 out of 12 in 8uvo

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Fluorine binding site 9 out of 12 in the Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC804515)


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 (NSC804515) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F903

b:154.9
occ:1.00
 F12 E:XNU903 0.0 154.9 1.0
C11 E:XNU903 1.4 152.6 1.0
C10 E:XNU903 2.4 147.3 1.0
C13 E:XNU903 2.4 151.9 1.0
O14 E:XNU903 2.8 157.2 1.0
CB E:LYS615 3.0 113.5 1.0
C33 E:XNU903 3.5 142.3 1.0
C09 E:XNU903 3.6 141.8 1.0
C34 E:XNU903 3.7 146.5 1.0
C32 E:XNU903 3.7 145.6 1.0
CA E:LYS615 3.9 111.3 1.0
CD E:LYS615 4.0 116.9 1.0
CG E:PRO510 4.0 121.0 1.0
CG E:LYS615 4.1 112.9 1.0
C35 E:XNU903 4.1 145.1 1.0
C15 E:XNU903 4.1 152.8 1.0
CD E:PRO510 4.5 117.9 1.0
O E:LYS615 4.6 116.4 1.0
C28 E:XNU903 4.7 133.3 1.0
CD E:LYS512 4.7 104.1 1.0
C E:LYS615 4.8 112.3 1.0
CG E:LYS512 4.8 99.2 1.0
C08 E:XNU903 4.9 138.6 1.0
N E:LYS615 4.9 110.8 1.0
C16 E:XNU903 5.0 147.1 1.0

Fluorine binding site 10 out of 12 in 8uvo

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Fluorine binding site 10 out of 12 in the Human P97/Vcp R155H Mutant Structure with A Triazole Inhibitor (NSC804515)


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 (NSC804515) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F903

b:148.7
occ:1.00
 F36 E:XNU903 0.0 148.7 1.0
C35 E:XNU903 1.4 145.1 1.0
C09 E:XNU903 2.4 141.8 1.0
C34 E:XNU903 2.4 146.5 1.0
C08 E:XNU903 2.9 138.6 1.0
C10 E:XNU903 3.6 147.3 1.0
C13 E:XNU903 3.7 151.9 1.0
C07 E:XNU903 3.7 142.8 1.0
O E:PRO500 3.9 131.4 1.0
CB E:PRO500 3.9 128.7 1.0
CD2 E:LEU504 3.9 124.2 1.0
CA E:PRO500 4.1 130.7 1.0
C11 E:XNU903 4.1 152.6 1.0
CG E:LEU504 4.2 125.3 1.0
CB E:PHE503 4.2 111.1 1.0
C E:PRO500 4.4 130.6 1.0
O14 E:XNU903 4.8 157.2 1.0
N E:LEU504 4.8 129.5 1.0
CD E:PRO510 4.9 117.9 1.0
C15 E:XNU903 4.9 152.8 1.0
CD1 E:LEU504 4.9 124.9 1.0
C06 E:XNU903 4.9 149.0 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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