Receptor
PDB id Resolution Class Description Source Keywords
4NY3 1.8 Å EC: 5.2.1.8 HUMAN PTPA IN COMPLEX WITH PEPTIDE HOMO SAPIENS PTPA PPP2R4 REGULATORY SUBUNIT B-prime (PR 53) HYDROLASE ACTIVPROTEIN PHOSPHATASE 2A (PP2A)
Ref.: STRUCTURAL BASIS FOR PTPA INTERACTION WITH THE INVA C-TERMINAL TAIL OF PP2A. BIOL.CHEM. V. 395 881 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:405;
B:402;
A:401;
B:404;
B:403;
A:402;
A:404;
A:403;
B:401;
B:405;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
GOL B:408;
A:406;
B:406;
B:407;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
THR PRO ASP TYR PHE LEU D:305;
C:305;
Valid;
Valid;
none;
none;
Kd = 49.5 uM
652.725 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NY3 1.8 Å EC: 5.2.1.8 HUMAN PTPA IN COMPLEX WITH PEPTIDE HOMO SAPIENS PTPA PPP2R4 REGULATORY SUBUNIT B-prime (PR 53) HYDROLASE ACTIVPROTEIN PHOSPHATASE 2A (PP2A)
Ref.: STRUCTURAL BASIS FOR PTPA INTERACTION WITH THE INVA C-TERMINAL TAIL OF PP2A. BIOL.CHEM. V. 395 881 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 4NY3 Kd = 49.5 uM THR PRO ASP TYR PHE LEU n/a n/a
2 2HV7 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 4NY3 Kd = 49.5 uM THR PRO ASP TYR PHE LEU n/a n/a
2 2HV7 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4NY3 Kd = 49.5 uM THR PRO ASP TYR PHE LEU n/a n/a
2 2HV7 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: THR PRO ASP TYR PHE LEU; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 THR PRO ASP TYR PHE LEU 1 1
2 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.529412 0.694915
3 GLY ASN TYR SER PHE TYR ALA LEU 0.527273 0.786885
4 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.516949 0.774194
5 ASP ALA ASP GLU TYR LEU 0.5 0.77193
6 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.496063 0.822581
7 PRO ALA ILE LEU TYR ALA LEU LEU SER SER 0.495868 0.868852
8 PRO SER M3L PHE NLW 0.491071 0.685714
9 GLU ASN LEU TYR PHE GLN 0.486726 0.810345
10 TYR GLY GLY PHE LEU 0.485981 0.875
11 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.469231 0.796875
12 PRO LEU GLU PSA ARG LEU 0.469231 0.784615
13 ASP PHE GLU ASP TYR GLU PHE ASP 0.46789 0.745763
14 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.463636 0.803571
15 THR ASN GLU PHE TYR PHE 0.461538 0.724138
16 PRO GLY VAL TYR 0.461538 0.928571
17 PRO THR SER TYR ALA GLY ASP ASP SER GLY 0.458015 0.852459
18 SER GLN TYR TYR TYR ASN SER LEU 0.455357 0.786885
19 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.454545 0.779661
20 PRO ALA TRP LEU PHE GLU ALA 0.447761 0.864407
21 SER ASP TYR GLN ARG LEU 0.447368 0.774194
22 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.444444 0.848485
23 PHE LEU SER TYR LYS 0.443478 0.847458
24 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.442857 0.774648
25 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.442029 0.857143
26 GLY GLY LYS LYS LYS TYR LYS LEU 0.441441 0.859649
27 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.439024 0.766667
28 PRO ALA TRP ASP GLU THR ASN LEU 0.438849 0.84127
29 THR ASN GLU PHE TYR ALA 0.438596 0.733333
30 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.435484 0.859649
31 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.434426 0.79661
32 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.434109 0.830508
33 GLU THR PHE TYR VAL ASP GLY 0.433333 0.830508
34 PRO GLN PHE SER LEU TRP LYS ARG 0.432836 0.83871
35 PRO SER TYR SEP PRO THR SEP PRO SER 0.431818 0.675676
36 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.431818 0.803279
37 PHE LEU ALA TYR LYS 0.431034 0.875
38 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.428571 0.835821
39 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.427481 0.791045
40 BD5 0.425743 0.616667
41 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.425197 0.84375
42 FME TYR PHE ILE ASN ILE LEU THR LEU 0.424242 0.723077
43 GLY GLY LYS LYS LYS TYR GLN LEU 0.423729 0.859649
44 ALA LEU ASP LEU PHE 0.42268 0.660714
45 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.422414 0.793103
46 TI2 0.418367 0.62069
47 ACE LEU PHE PHE GLK CF0 GLU 0.417476 0.706897
48 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.417323 0.844828
49 PHE ARG TYR LEU GLY 0.416667 0.806452
50 ASP ASP ASP ASP TYR 0.416667 0.666667
51 ALA GLU THR PHE TYR VAL ASP GLY 0.416667 0.762712
52 TYR ASP GLN ILE LEU 0.415929 0.77193
53 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.415385 0.816667
54 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.415385 0.830508
55 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.414062 0.830508
56 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.412698 0.830508
57 LYS VAL ILE THR PHE ILE ASP LEU 0.412698 0.766667
58 ACE ILE TYR GLU SER LEU 0.412281 0.75
59 SER PRO ILE VAL PRO SER PHE ASP MET 0.411348 0.708333
60 TYR PRO PHE PHE NH2 0.410714 0.774194
61 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.410256 0.7
62 GLU GLU ASN ASP PRO ASP TYR 0.410256 0.753846
63 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.407143 0.887097
64 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.407143 0.887097
65 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.405594 0.835821
66 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.405229 0.727273
67 ACE GLN ALC ASP LEU PHE 0.404959 0.741379
68 LEU PRO SER PHE GLU THR ALA LEU 0.404412 0.772727
69 LEU PHE GLY TYR PRO VAL TYR VAL 0.404412 0.887097
70 THR PRO TYR ASP ILE ASN GLN MET LEU 0.40411 0.746479
71 GLU ASN GLN LYS GLU TYR PHE PHE 0.403361 0.79661
72 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.402685 0.859375
73 PRO HIS PRO PHE HIS STA VAL ILE HIS LYS 0.40146 0.825397
74 GLU LEU ASP LYS TYR ALA SER 0.4 0.830508
75 TYR ASP LEU SEP LEU PRO PHE PRO 0.4 0.753425
76 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.4 0.786885
Similar Ligands (3D)
Ligand no: 1; Ligand: THR PRO ASP TYR PHE LEU; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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