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Fluorine in PDB 5ftj: Cryo-Em Structure of Human P97 Bound to UPCDC30245 Inhibitor

Enzymatic activity of Cryo-Em Structure of Human P97 Bound to UPCDC30245 Inhibitor

All present enzymatic activity of Cryo-Em Structure of Human P97 Bound to UPCDC30245 Inhibitor:
3.6.4.6;

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Cryo-Em Structure of Human P97 Bound to UPCDC30245 Inhibitor (pdb code 5ftj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Cryo-Em Structure of Human P97 Bound to UPCDC30245 Inhibitor, PDB code: 5ftj:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 5ftj

Go back to Fluorine Binding Sites List in 5ftj
Fluorine binding site 1 out of 6 in the Cryo-Em Structure of Human P97 Bound to UPCDC30245 Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cryo-Em Structure of Human P97 Bound to UPCDC30245 Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:20.0
occ:1.00
 F28 A:OJA1001 0.0 20.0 1.0
C27 A:OJA1001 1.3 20.0 1.0
C26 A:OJA1001 2.3 20.0 1.0
C29 A:OJA1001 2.3 20.0 1.0
CB A:LYS614 2.7 90.5 1.0
CD A:LYS614 3.1 79.7 1.0
O A:SER511 3.3 39.2 1.0
CA A:LYS512 3.4 49.5 1.0
CG A:LYS614 3.5 88.9 1.0
C25 A:OJA1001 3.6 20.0 1.0
C30 A:OJA1001 3.6 20.0 1.0
CB A:LYS512 3.7 52.6 1.0
N A:LYS512 3.7 58.6 1.0
C A:SER511 3.8 47.2 1.0
CA A:LYS614 4.0 92.4 1.0
C31 A:OJA1001 4.0 20.0 1.0
O A:PRO510 4.2 67.3 1.0
CG A:PRO510 4.3 47.8 1.0
CE A:LYS614 4.6 86.1 1.0
C A:PRO510 4.6 46.7 1.0
C A:LYS512 4.7 49.0 1.0
CB A:PRO510 4.7 40.0 1.0
C24 A:OJA1001 4.9 20.0 1.0
N A:LYS614 4.9 90.8 1.0
O A:VAL617 4.9 56.3 1.0
O A:LYS512 5.0 46.0 1.0
CA A:SER511 5.0 37.9 1.0
CD1 A:PHE618 5.0 39.5 1.0

Fluorine binding site 2 out of 6 in 5ftj

Go back to Fluorine Binding Sites List in 5ftj
Fluorine binding site 2 out of 6 in the Cryo-Em Structure of Human P97 Bound to UPCDC30245 Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Cryo-Em Structure of Human P97 Bound to UPCDC30245 Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1001

b:20.0
occ:1.00
 F28 B:OJA1001 0.0 20.0 1.0
C27 B:OJA1001 1.3 20.0 1.0
C26 B:OJA1001 2.3 20.0 1.0
C29 B:OJA1001 2.3 20.0 1.0
CB B:LYS614 2.7 90.5 1.0
CD B:LYS614 3.1 79.7 1.0
O B:SER511 3.3 39.2 1.0
CA B:LYS512 3.4 49.5 1.0
CG B:LYS614 3.5 88.9 1.0
C25 B:OJA1001 3.6 20.0 1.0
C30 B:OJA1001 3.6 20.0 1.0
CB B:LYS512 3.7 52.6 1.0
N B:LYS512 3.7 58.6 1.0
C B:SER511 3.8 47.2 1.0
CA B:LYS614 4.0 92.4 1.0
C31 B:OJA1001 4.0 20.0 1.0
O B:PRO510 4.2 67.3 1.0
CG B:PRO510 4.3 47.8 1.0
CE B:LYS614 4.6 86.1 1.0
C B:PRO510 4.6 46.7 1.0
C B:LYS512 4.7 49.0 1.0
CB B:PRO510 4.7 40.0 1.0
C24 B:OJA1001 4.9 20.0 1.0
N B:LYS614 4.9 90.8 1.0
O B:VAL617 4.9 56.3 1.0
O B:LYS512 5.0 46.0 1.0
CA B:SER511 5.0 37.9 1.0
CD1 B:PHE618 5.0 39.5 1.0

Fluorine binding site 3 out of 6 in 5ftj

Go back to Fluorine Binding Sites List in 5ftj
Fluorine binding site 3 out of 6 in the Cryo-Em Structure of Human P97 Bound to UPCDC30245 Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Cryo-Em Structure of Human P97 Bound to UPCDC30245 Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1001

b:20.0
occ:1.00
 F28 C:OJA1001 0.0 20.0 1.0
C27 C:OJA1001 1.3 20.0 1.0
C26 C:OJA1001 2.3 20.0 1.0
C29 C:OJA1001 2.3 20.0 1.0
CB C:LYS614 2.7 90.5 1.0
CD C:LYS614 3.1 79.7 1.0
O C:SER511 3.3 39.2 1.0
CA C:LYS512 3.4 49.5 1.0
CG C:LYS614 3.5 88.9 1.0
C25 C:OJA1001 3.6 20.0 1.0
C30 C:OJA1001 3.6 20.0 1.0
CB C:LYS512 3.7 52.6 1.0
N C:LYS512 3.7 58.6 1.0
C C:SER511 3.8 47.2 1.0
CA C:LYS614 4.0 92.4 1.0
C31 C:OJA1001 4.0 20.0 1.0
O C:PRO510 4.2 67.3 1.0
CG C:PRO510 4.3 47.8 1.0
CE C:LYS614 4.6 86.1 1.0
C C:PRO510 4.6 46.7 1.0
C C:LYS512 4.7 49.0 1.0
CB C:PRO510 4.7 40.0 1.0
C24 C:OJA1001 4.9 20.0 1.0
N C:LYS614 4.9 90.8 1.0
O C:VAL617 4.9 56.3 1.0
O C:LYS512 5.0 46.0 1.0
CA C:SER511 5.0 37.9 1.0
CD1 C:PHE618 5.0 39.5 1.0

Fluorine binding site 4 out of 6 in 5ftj

Go back to Fluorine Binding Sites List in 5ftj
Fluorine binding site 4 out of 6 in the Cryo-Em Structure of Human P97 Bound to UPCDC30245 Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Cryo-Em Structure of Human P97 Bound to UPCDC30245 Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F1001

b:20.0
occ:1.00
 F28 D:OJA1001 0.0 20.0 1.0
C27 D:OJA1001 1.3 20.0 1.0
C26 D:OJA1001 2.3 20.0 1.0
C29 D:OJA1001 2.3 20.0 1.0
CB D:LYS614 2.7 90.5 1.0
CD D:LYS614 3.1 79.7 1.0
O D:SER511 3.3 39.2 1.0
CA D:LYS512 3.4 49.5 1.0
CG D:LYS614 3.5 88.9 1.0
C25 D:OJA1001 3.6 20.0 1.0
C30 D:OJA1001 3.6 20.0 1.0
CB D:LYS512 3.7 52.6 1.0
N D:LYS512 3.7 58.6 1.0
C D:SER511 3.8 47.2 1.0
CA D:LYS614 4.0 92.4 1.0
C31 D:OJA1001 4.0 20.0 1.0
O D:PRO510 4.2 67.3 1.0
CG D:PRO510 4.3 47.8 1.0
CE D:LYS614 4.6 86.1 1.0
C D:PRO510 4.6 46.7 1.0
C D:LYS512 4.7 49.0 1.0
CB D:PRO510 4.7 40.0 1.0
C24 D:OJA1001 4.9 20.0 1.0
N D:LYS614 4.9 90.8 1.0
O D:VAL617 4.9 56.3 1.0
O D:LYS512 5.0 46.0 1.0
CA D:SER511 5.0 37.9 1.0
CD1 D:PHE618 5.0 39.5 1.0

Fluorine binding site 5 out of 6 in 5ftj

Go back to Fluorine Binding Sites List in 5ftj
Fluorine binding site 5 out of 6 in the Cryo-Em Structure of Human P97 Bound to UPCDC30245 Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Cryo-Em Structure of Human P97 Bound to UPCDC30245 Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F1001

b:20.0
occ:1.00
 F28 E:OJA1001 0.0 20.0 1.0
C27 E:OJA1001 1.3 20.0 1.0
C26 E:OJA1001 2.3 20.0 1.0
C29 E:OJA1001 2.3 20.0 1.0
CB E:LYS614 2.7 90.5 1.0
CD E:LYS614 3.1 79.7 1.0
O E:SER511 3.3 39.2 1.0
CA E:LYS512 3.4 49.5 1.0
CG E:LYS614 3.5 88.9 1.0
C25 E:OJA1001 3.6 20.0 1.0
C30 E:OJA1001 3.6 20.0 1.0
CB E:LYS512 3.7 52.6 1.0
N E:LYS512 3.7 58.6 1.0
C E:SER511 3.8 47.2 1.0
CA E:LYS614 4.0 92.4 1.0
C31 E:OJA1001 4.0 20.0 1.0
O E:PRO510 4.2 67.3 1.0
CG E:PRO510 4.3 47.8 1.0
CE E:LYS614 4.6 86.1 1.0
C E:PRO510 4.6 46.7 1.0
C E:LYS512 4.7 49.0 1.0
CB E:PRO510 4.7 40.0 1.0
C24 E:OJA1001 4.9 20.0 1.0
N E:LYS614 4.9 90.8 1.0
O E:VAL617 4.9 56.3 1.0
O E:LYS512 5.0 46.0 1.0
CA E:SER511 5.0 37.9 1.0
CD1 E:PHE618 5.0 39.5 1.0

Fluorine binding site 6 out of 6 in 5ftj

Go back to Fluorine Binding Sites List in 5ftj
Fluorine binding site 6 out of 6 in the Cryo-Em Structure of Human P97 Bound to UPCDC30245 Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Cryo-Em Structure of Human P97 Bound to UPCDC30245 Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F1001

b:20.0
occ:1.00
 F28 F:OJA1001 0.0 20.0 1.0
C27 F:OJA1001 1.3 20.0 1.0
C26 F:OJA1001 2.3 20.0 1.0
C29 F:OJA1001 2.3 20.0 1.0
CB F:LYS614 2.7 90.5 1.0
CD F:LYS614 3.1 79.7 1.0
O F:SER511 3.3 39.2 1.0
CA F:LYS512 3.4 49.5 1.0
CG F:LYS614 3.5 88.9 1.0
C25 F:OJA1001 3.6 20.0 1.0
C30 F:OJA1001 3.6 20.0 1.0
CB F:LYS512 3.7 52.6 1.0
N F:LYS512 3.7 58.6 1.0
C F:SER511 3.8 47.2 1.0
CA F:LYS614 4.0 92.4 1.0
C31 F:OJA1001 4.0 20.0 1.0
O F:PRO510 4.2 67.3 1.0
CG F:PRO510 4.3 47.8 1.0
CE F:LYS614 4.6 86.1 1.0
C F:PRO510 4.6 46.7 1.0
C F:LYS512 4.7 49.0 1.0
CB F:PRO510 4.7 40.0 1.0
C24 F:OJA1001 4.9 20.0 1.0
N F:LYS614 4.9 90.8 1.0
O F:VAL617 4.9 56.3 1.0
O F:LYS512 5.0 46.0 1.0
CA F:SER511 5.0 37.9 1.0
CD1 F:PHE618 5.0 39.5 1.0

Reference:

S.Banerjee, A.Bartesaghi, A.Merk, P.Rao, S.L.Bulfer, Y.Yan, N.Green, B.Mroczkowski, R.J.Neitz, P.Wipf, V.Falconieri, R.J.Deshaies, J.L.S.Milne, D.Huryn, M.Arkin, S.Subramaniam. 2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition Science V. 351 871 2016.
ISSN: ISSN 0036-8075
PubMed: 26822609
DOI: 10.1126/SCIENCE.AAD7974
Page generated: Sun Dec 13 12:22:41 2020

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