Receptor
PDB id Resolution Class Description Source Keywords
5GP7 1.5 Å EC: 2.4.2.30 STRUCTURAL BASIS FOR THE BINDING BETWEEN TANKYRASE-1 AND USP HOMO SAPIENS TANKYRASE USP25 ANKYRIN REPEATS TRANSFERASE
Ref.: USP25 REGULATES WNT SIGNALING BY CONTROLLING THE ST OF TANKYRASES GENES DEV. V. 31 1024 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1002;
A:1001;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SER LEU SER ARG THR PRO ALA ASP GLY ARG B:1046;
Valid;
Atoms found LESS than expected: % Diff = 0.054;
submit data
1002.08 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5GP7 1.5 Å EC: 2.4.2.30 STRUCTURAL BASIS FOR THE BINDING BETWEEN TANKYRASE-1 AND USP HOMO SAPIENS TANKYRASE USP25 ANKYRIN REPEATS TRANSFERASE
Ref.: USP25 REGULATES WNT SIGNALING BY CONTROLLING THE ST OF TANKYRASES GENES DEV. V. 31 1024 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 5GP7 - SER LEU SER ARG THR PRO ALA ASP GLY ARG 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 10 families.
1 5GP7 - SER LEU SER ARG THR PRO ALA ASP GLY ARG 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 7 families.
1 5GP7 - SER LEU SER ARG THR PRO ALA ASP GLY ARG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SER LEU SER ARG THR PRO ALA ASP GLY ARG; Similar ligands found: 85
No: Ligand ECFP6 Tc MDL keys Tc
1 SER LEU SER ARG THR PRO ALA ASP GLY ARG 1 1
2 ALA ARG MLZ SER ALA PRO ALA THR 0.562044 0.884058
3 SER ARG ASP HIS SER ARG THR PRO MET 0.547771 0.876712
4 ALA ALA ARG KCR SER ALA PRO ALA 0.544828 0.924242
5 THR PRO THR ARG ASP VAL ALA THR SER PRO 0.543478 0.969231
6 CYS THR PRO SER ARG 0.541985 0.938462
7 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.527027 0.926471
8 ARG VAL ALA SER PRO THR SER GLY VAL 0.510345 0.969231
9 SER ALA PRO ASP THR ARG PRO ALA 0.506944 0.969697
10 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.503448 0.909091
11 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.503145 0.969697
12 GLU ARG THR ILE PRO ILE THR ARG GLU 0.5 0.954545
13 GLU PRO GLY GLY SER ARG 0.489051 0.9375
14 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.486486 0.954545
15 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.482353 0.914286
16 LYS PRO VAL LEU ARG THR ALA 0.479452 0.924242
17 ARG VAL ALA SEP PRO THR SER GLY VAL 0.474359 0.887324
18 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.472973 0.925373
19 SER PRO LYS ARG ILE ALA 0.468531 0.909091
20 ALA MET ALA PRO ARG THR LEU LEU LEU 0.466667 0.859155
21 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.466258 0.913043
22 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.462963 0.927536
23 ALA PRO ASP THR ARG PRO 0.454545 0.954545
24 ARG PRO LYS ARG ILE ALA 0.451389 0.863636
25 LEU PRO PHE ASP ARG THR THR ILE MET 0.446429 0.863014
26 5JP PRO LYS ARG ILE ALA 0.445946 0.882353
27 GLY LEU LEU GLY SEP PRO VAL ARG ALA 0.44586 0.833333
28 ALA PRO ASP THR ARG PRO ALA PRO 0.445205 0.954545
29 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.442424 0.875
30 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.44186 0.875
31 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.439024 0.940298
32 THR PRO ARG ARG SER MLZ SER ALA 0.438356 0.898551
33 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.438272 0.911765
34 SER SER GLY LYS VAL PRO LEU SER 0.4375 0.848485
35 ARG ARG ARG GLU ARG SER PRO THR ARG 0.437086 0.984375
36 ALA ARG MLY SER THR GLY GLY ALY 0.436242 0.8
37 LEU PRO PHE GLU ARG ALA THR VAL MET 0.433526 0.861111
38 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.432927 0.788732
39 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.431953 0.9
40 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.431818 0.837838
41 GLY VAL VAL ALA SER GLN PRO ALA ARG VAL 0.431507 0.846154
42 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.43125 0.849315
43 ARG PRO MET THR PHE LYS GLY ALA LEU 0.431034 0.849315
44 ASN ARG PRO ILE LEU SER LEU 0.430464 0.911765
45 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.430168 0.766234
46 GLU ALA ASP PRO THR GLY HIS SER TYR 0.427746 0.805556
47 SER SER TYR ARG ARG PRO VAL GLY ILE 0.427711 0.875
48 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.426752 0.867647
49 ILE SER PRO ARG THR LEU ASP ALA TRP 0.42623 0.876712
50 ARG PRO MET THR TYR LYS GLY ALA LEU 0.426136 0.815789
51 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.423913 0.831169
52 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.423077 0.816901
53 ALA GLY SER VAL GLU GLN TPO PRO LYS LYS 0.421687 0.819444
54 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.421622 0.826667
55 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.421053 0.788732
56 PRO SER ILE ASP ARG SER THR LYS PRO 0.420732 0.955224
57 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.420382 0.867647
58 ALA ARG MLZ SER THR GLY GLY ALY 0.42 0.768116
59 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.419753 0.861111
60 THR LYS PRO ARG 0.418605 0.828125
61 LEU PRO PHE GLU ARG ALA THR ILE MET 0.418079 0.849315
62 ALA ARG M3L SER THR GLY GLY ALY 0.417219 0.777778
63 SER PRO HIS ASN PRO ILE SER ASP VAL ASP 0.415493 0.811594
64 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.414286 0.723077
65 ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.413793 0.913043
66 ALA ASN SER ARG TRP PRO THR SER 2KK ILE 0.412698 0.820513
67 SER SER GLY LYS VAL PRO LEU 0.412587 0.833333
68 DPN PRO DAR DTH NH2 0.412587 0.863636
69 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.412121 0.898551
70 ACE GLN GLU ARG GLU VAL PRO CYS 0.411765 0.850746
71 TYR PRO LYS ARG ILE ALA 0.411392 0.816901
72 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.410112 0.835616
73 PHE PRO THR LYS ASP VAL ALA LEU 0.409938 0.808824
74 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.409938 0.861111
75 GLN ALA SER TPO PRO ARG NIT 0.409357 0.777778
76 ALA ASN SER ARG TRP PRO THR SER 2KP ILE 0.40625 0.820513
77 ACE ARG THR PRO SEP LEU PRO THR PIP 0.40625 0.792208
78 DMG PRO ARG ARG ARG SER ARG LYS PRO 0.405594 0.911765
79 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.403409 0.885714
80 ALA ARG THR M3L GLN THR ALA ARG 0.402778 0.75
81 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.402235 0.887324
82 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.402174 0.830986
83 LEU GLU LYS ALA ARG GLY SER THR TYR 0.401198 0.760563
84 ARG PHE PRO LEU THR PHE GLY TRP 0.4 0.849315
85 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.4 0.863014
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5GP7; Ligand: SER LEU SER ARG THR PRO ALA ASP GLY ARG; Similar sites found: 4
This union binding pocket(no: 1) in the query (biounit: 5gp7.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4OIT MAN 0.01908 0.421 4.42478
2 4O1P 25L 0.0001901 0.42449 27.8107
3 1WDY 25A 0.00004173 0.50792 32.5444
4 5W7I GLY VAL VAL ALA SER GLN PRO ALA ARG VAL 0.000337 0.48433 43.787
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