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Fluorine in PDB 6nts: Protein Phosphatase 2A (Aalpha-B56ALPHA-Calpha) Holoenzyme in Complex with A Small Molecule Activator of PP2A (Smap)

Enzymatic activity of Protein Phosphatase 2A (Aalpha-B56ALPHA-Calpha) Holoenzyme in Complex with A Small Molecule Activator of PP2A (Smap)

All present enzymatic activity of Protein Phosphatase 2A (Aalpha-B56ALPHA-Calpha) Holoenzyme in Complex with A Small Molecule Activator of PP2A (Smap):
3.1.3.16;

Other elements in 6nts:

The structure of Protein Phosphatase 2A (Aalpha-B56ALPHA-Calpha) Holoenzyme in Complex with A Small Molecule Activator of PP2A (Smap) also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Protein Phosphatase 2A (Aalpha-B56ALPHA-Calpha) Holoenzyme in Complex with A Small Molecule Activator of PP2A (Smap) (pdb code 6nts). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Protein Phosphatase 2A (Aalpha-B56ALPHA-Calpha) Holoenzyme in Complex with A Small Molecule Activator of PP2A (Smap), PDB code: 6nts:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 6nts

Go back to Fluorine Binding Sites List in 6nts
Fluorine binding site 1 out of 3 in the Protein Phosphatase 2A (Aalpha-B56ALPHA-Calpha) Holoenzyme in Complex with A Small Molecule Activator of PP2A (Smap)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Protein Phosphatase 2A (Aalpha-B56ALPHA-Calpha) Holoenzyme in Complex with A Small Molecule Activator of PP2A (Smap) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:0.8
occ:1.00
 F01 A:L2J601 0.0 0.8 1.0
C25 A:L2J601 1.4 0.8 1.0
F03 A:L2J601 2.2 0.8 1.0
F02 A:L2J601 2.2 0.8 1.0
O05 A:L2J601 2.3 0.8 1.0
C22 A:L2J601 2.6 0.8 1.0
N A:GLU101 2.9 0.1 1.0
C21 A:L2J601 3.1 0.8 1.0
CB A:GLU101 3.3 0.1 1.0
C23 A:L2J601 3.3 0.8 1.0
CA A:GLU101 3.4 0.1 1.0
CB A:GLU100 3.6 0.1 1.0
C A:GLU100 3.6 0.1 1.0
OH B:TYR238 3.9 1.0 1.0
CA A:GLU100 3.9 0.1 1.0
OE2 A:GLU100 4.0 0.1 1.0
N A:GLU100 4.0 0.1 1.0
C20 A:L2J601 4.1 0.8 1.0
CG2 A:VAL99 4.1 0.2 1.0
C24 A:L2J601 4.3 0.8 1.0
OE1 A:GLU101 4.4 0.1 1.0
O A:GLU100 4.5 0.1 1.0
C19 A:L2J601 4.6 0.8 1.0
CG A:GLU101 4.7 0.1 1.0
OD1 A:ASP63 4.7 0.5 1.0
CG A:GLU100 4.7 0.1 1.0
CD A:GLU100 4.7 0.1 1.0
C A:GLU101 4.9 0.1 1.0
CZ B:TYR238 5.0 1.0 1.0

Fluorine binding site 2 out of 3 in 6nts

Go back to Fluorine Binding Sites List in 6nts
Fluorine binding site 2 out of 3 in the Protein Phosphatase 2A (Aalpha-B56ALPHA-Calpha) Holoenzyme in Complex with A Small Molecule Activator of PP2A (Smap)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Protein Phosphatase 2A (Aalpha-B56ALPHA-Calpha) Holoenzyme in Complex with A Small Molecule Activator of PP2A (Smap) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:0.8
occ:1.00
 F02 A:L2J601 0.0 0.8 1.0
C25 A:L2J601 1.4 0.8 1.0
F03 A:L2J601 2.2 0.8 1.0
F01 A:L2J601 2.2 0.8 1.0
O05 A:L2J601 2.3 0.8 1.0
C22 A:L2J601 3.0 0.8 1.0
C21 A:L2J601 3.0 0.8 1.0
OD1 A:ASP63 3.3 0.5 1.0
OD2 A:ASP61 3.7 0.7 1.0
OD1 A:ASP61 4.0 0.7 1.0
CE1 B:PHE317 4.2 92.3 1.0
CG A:ASP61 4.2 0.7 1.0
C23 A:L2J601 4.3 0.8 1.0
CG A:ASP63 4.3 0.5 1.0
C20 A:L2J601 4.3 0.8 1.0
CB A:GLU101 4.3 0.1 1.0
CG2 A:VAL99 4.4 0.2 1.0
CZ B:PHE317 4.5 92.3 1.0
OD2 A:ASP63 4.5 0.5 1.0
N A:GLU101 4.7 0.1 1.0
OE2 A:GLU100 5.0 0.1 1.0

Fluorine binding site 3 out of 3 in 6nts

Go back to Fluorine Binding Sites List in 6nts
Fluorine binding site 3 out of 3 in the Protein Phosphatase 2A (Aalpha-B56ALPHA-Calpha) Holoenzyme in Complex with A Small Molecule Activator of PP2A (Smap)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Protein Phosphatase 2A (Aalpha-B56ALPHA-Calpha) Holoenzyme in Complex with A Small Molecule Activator of PP2A (Smap) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:0.8
occ:1.00
 F03 A:L2J601 0.0 0.8 1.0
C25 A:L2J601 1.4 0.8 1.0
F02 A:L2J601 2.2 0.8 1.0
F01 A:L2J601 2.2 0.8 1.0
O05 A:L2J601 2.3 0.8 1.0
OE2 A:GLU100 3.1 0.1 1.0
C22 A:L2J601 3.5 0.8 1.0
OD2 A:ASP61 3.7 0.7 1.0
CD A:GLU100 3.9 0.1 1.0
OD1 A:ASP61 4.0 0.7 1.0
CB A:GLU100 4.0 0.1 1.0
CG2 A:VAL99 4.2 0.2 1.0
CG A:ASP61 4.3 0.7 1.0
C21 A:L2J601 4.3 0.8 1.0
C23 A:L2J601 4.3 0.8 1.0
CZ B:PHE317 4.4 92.3 1.0
N A:GLU100 4.5 0.1 1.0
CG A:GLU100 4.5 0.1 1.0
N A:GLU101 4.6 0.1 1.0
OE1 A:GLU100 4.7 0.1 1.0
CA A:GLU100 4.8 0.1 1.0
CE1 B:PHE317 4.8 92.3 1.0

Reference:

D.Leonard, W.Huang, S.Izadmehr, C.M.O'connor, D.D.Wiredja, Z.Wang, N.Zaware, Y.Chen, D.M.Schlatzer, J.Kiselar, N.Vasireddi, S.Schuchner, A.L.Perl, M.D.Galsky, W.Xu, D.L.Brautigan, E.Ogris, D.J.Taylor, G.Narla. Selective PP2A Enhancement Through Biased Heterotrimer Stabilization. Cell 2020.
ISSN: ISSN 1097-4172
PubMed: 32315618
DOI: 10.1016/J.CELL.2020.03.038
Page generated: Thu Aug 1 23:12:19 2024

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