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: Thu Aug 1 09:28:23 2024
|