Receptor
PDB id Resolution Class Description Source Keywords
3P9Y 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE DROSOPHILA MELANOGASTER SSU72-PCTD DROSOPHILA MELANOGASTER PHOSPHATASE CIS PROLINE LMW PTP-LIKE FOLD RNA POLYMERASE HYDROLASE
Ref.: CIS-PROLINE-MEDIATED SER(P)5 DEPHOSPHORYLATION BY T POLYMERASE II C-TERMINAL DOMAIN PHOSPHATASE SSU72. J.BIOL.CHEM. V. 286 5717 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IMD A:196;
A:197;
B:196;
C:196;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
69.085 C3 H5 N2 c1c[n...
N7P THR SEP PRO SER TYR SET E:3;
F:3;
G:3;
H:3;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
856.78 n/a P(=O)...
PG4 A:198;
 Invalid;
 none;
 submit data
194.226 C8 H18 O5 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3P9Y 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE DROSOPHILA MELANOGASTER SSU72-PCTD DROSOPHILA MELANOGASTER PHOSPHATASE CIS PROLINE LMW PTP-LIKE FOLD RNA POLYMERASE HYDROLASE
Ref.: CIS-PROLINE-MEDIATED SER(P)5 DEPHOSPHORYLATION BY T POLYMERASE II C-TERMINAL DOMAIN PHOSPHATASE SSU72. J.BIOL.CHEM. V. 286 5717 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3P9Y - N7P THR SEP PRO SER TYR SET n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3P9Y - N7P THR SEP PRO SER TYR SET n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3P9Y - N7P THR SEP PRO SER TYR SET n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: N7P THR SEP PRO SER TYR SET; Similar ligands found: 61
No: Ligand ECFP6 Tc MDL keys Tc
1 N7P THR SEP PRO SER TYR SET 1 1
2 PRO SER TYR SEP PRO THR SEP PRO SER 0.760331 0.943662
3 TYR SEP PRO THR SEP PRO SER 0.686441 0.943662
4 SER TYR SER PRO THR SEP PRO SER 0.541667 0.9
5 SER THR SEP PRO THR PHE ASN LYS 0.533333 0.902778
6 ARG VAL SER PRO SER THR SER TYR THR PRO 0.51145 0.830986
7 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.506944 0.868421
8 ACE PRO ALA PRO TYR 0.483333 0.788732
9 ARG SEP PRO VAL PHE SER 0.483221 0.815789
10 HIS SER ILE THR TYR LEU LEU PRO VAL 0.480769 0.782051
11 ARG THR PHE SER PRO THR TYR GLY LEU 0.480769 0.753086
12 ALA ARG SER HIS SEP TYR PRO ALA 0.475 0.871795
13 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.473684 0.883117
14 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.465753 0.78481
15 ARG LEU TYR HIS SEP LEU PRO ALA 0.462963 0.8375
16 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.462025 0.805195
17 ASP ILE ALA TYR TYR THR SER GLU PRO 0.458333 0.789474
18 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.458065 0.7625
19 ARG VAL ALA SEP PRO THR SER GLY VAL 0.456954 0.794872
20 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.452703 0.824324
21 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.450331 0.918919
22 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.446667 0.890411
23 SER SER PHE TYR PRO SEP ALA GLU GLY 0.443709 0.864865
24 ALA CYS SEP PRO GLN PHE GLY 0.439189 0.847222
25 TYR TYR SER ILE ILE PRO HIS SER ILE 0.437909 0.782051
26 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.436364 0.743902
27 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.434783 0.75
28 ASP ILE ASN TYR TYR THR SER GLU PRO 0.434211 0.779221
29 ACE MET GLN SER SEP PRO LEU NH2 0.433566 0.828947
30 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.432258 0.782051
31 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.432099 0.779221
32 SER SER TYR ARG ARG PRO VAL GLY ILE 0.43038 0.78481
33 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.429448 0.786667
34 LEU PRO SER PHE GLU THR ALA LEU 0.423841 0.77027
35 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.423611 0.76
36 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.423077 0.74359
37 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.42236 0.786667
38 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.421053 0.8
39 TYR ASP LEU SEP LEU PRO PHE PRO 0.41875 0.868421
40 GLY THR SER SER PRO SER ALA ASP 0.41791 0.75
41 ILE THR ASP GLN VAL PRO PHE SER VAL 0.417722 0.76
42 TYR TYR SER ILE ALA PRO HIS SER ILE 0.417722 0.805195
43 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.416667 0.773333
44 GLU PRO VAL GLU THR THR ASP TYR 0.412162 0.794521
45 ASP ILE ASN TYS TYS THR SER GLU PRO 0.411765 0.767442
46 GLU ALA ASP PRO THR GLY HIS SER TYR 0.410714 0.802632
47 VAL PRO LEU ARG PRO MET THR TYR 0.409938 0.765432
48 ACE TYR PRO ILE GLN GLU THR 0.409396 0.756757
49 ASP TYR ILE ASN THR ASN VAL LEU PRO 0.407895 0.763158
50 GLN MET PRO THR GLU ASP GLU TYR 0.407643 0.789474
51 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.406667 0.763158
52 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.406593 0.831325
53 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.406061 0.766234
54 LEU PHE GLY TYR PRO VAL TYR VAL 0.405229 0.723684
55 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.405229 0.861111
56 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.403614 0.769231
57 SER PRO ILE VAL PRO SER PHE ASP MET 0.402516 0.75641
58 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.401515 0.828571
59 VAL PRO TYR SER SER ALA GLN NAG 0.401316 0.794872
60 GLU GLU ASN ASP PRO ASP TYR 0.4 0.753425
61 TYR PRO PHE PHE NH2 0.4 0.722222
Similar Ligands (3D)
Ligand no: 1; Ligand: N7P THR SEP PRO SER TYR SET; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3P9Y; Ligand: N7P THR SEP PRO SER TYR SET; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3p9y.bio4) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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