Receptor
PDB id Resolution Class Description Source Keywords
4KG9 1.7 Å EC: 3.1.2.15 CRYSTAL STRUCTURE OF USP7-NTD WITH MCM-BP HOMO SAPIENS TRAF DOMAIN DEUBIQUITINATION HYDROLASE
Ref.: A ROLE FOR USP7 IN DNA REPLICATION. MOL.CELL.BIOL. V. 34 132 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG VAL SER PRO SER THR SER TYR THR PRO B:153;
Valid;
none;
submit data
723.781 n/a O=C(N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FOJ 1.6 Å EC: 3.1.2.15 THE CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HAUSP/USP7 WITH P53 PEPTIDE 364-367 HOMO SAPIENS MATH DOMAIN HYDROLASE
Ref.: MOLECULAR RECOGNITION OF P53 AND MDM2 BY USP7/HAUSP NAT.STRUCT.MOL.BIOL. V. 13 285 2006
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2FOP - GLU LYS PRO SER SER SER n/a n/a
2 4KG9 - ARG VAL SER PRO SER THR SER TYR THR PRO n/a n/a
3 2FOO - GLU PRO GLY GLY SER ARG n/a n/a
4 2FOJ - GLY ALA ARG ALA HIS SER SER n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2FOP - GLU LYS PRO SER SER SER n/a n/a
2 4KG9 - ARG VAL SER PRO SER THR SER TYR THR PRO n/a n/a
3 2FOO - GLU PRO GLY GLY SER ARG n/a n/a
4 2FOJ - GLY ALA ARG ALA HIS SER SER n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2FOP - GLU LYS PRO SER SER SER n/a n/a
2 4KG9 - ARG VAL SER PRO SER THR SER TYR THR PRO n/a n/a
3 2FOO - GLU PRO GLY GLY SER ARG n/a n/a
4 2FOJ - GLY ALA ARG ALA HIS SER SER n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ARG VAL SER PRO SER THR SER TYR THR PRO; Similar ligands found: 87
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG VAL SER PRO SER THR SER TYR THR PRO 1 1
2 GLY THR SER SER PRO SER ALA ASP 0.547826 0.84127
3 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.537879 0.923077
4 LEU SER SER PRO VAL THR LYS SER PHE 0.537313 0.904762
5 TYR SEP PRO THR SEP PRO SER 0.520325 0.828571
6 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.518797 0.819444
7 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.517544 0.903226
8 N7P THR SEP PRO SER TYR SET 0.51145 0.830986
9 PRO SER TYR SEP PRO THR SEP PRO SER 0.5 0.828571
10 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.496504 0.819444
11 ACE GLU LEU LEU MET VAL PRO ASP MET TYR 0.49635 0.808824
12 HIS SER ILE THR TYR LEU LEU PRO VAL 0.489796 0.869565
13 ASP ILE ALA TYR TYR THR SER GLU PRO 0.488722 0.880597
14 ACE GLY PHE GLY VAL VAL PRO SER PHE TYR 0.480916 0.873016
15 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.471831 0.863636
16 ARG THR PHE SER PRO THR TYR GLY LEU 0.469799 0.833333
17 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.469799 0.869565
18 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.466667 0.842857
19 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.463768 0.878788
20 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.463576 0.850746
21 GLU GLU ASN ASP PRO ASP TYR 0.46281 0.84375
22 VAL PRO LEU ARG PRO MET THR TYR 0.462585 0.797297
23 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.457143 0.923077
24 GLN ASN TYR PRO ILE VAL GLN 0.455882 0.848485
25 TYR TYR SER ILE ALA PRO HIS SER ILE 0.452055 0.842857
26 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.451389 0.892308
27 ASP ILE ASN TYR TYR THR SER GLU PRO 0.450704 0.867647
28 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.45 0.771429
29 GLU PRO VAL GLU THR THR ASP TYR 0.448529 0.920635
30 ACE TYR PRO ILE GLN GLU THR 0.445255 0.818182
31 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.443662 0.808219
32 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.442748 0.80303
33 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.44186 0.84127
34 SER SER PHE TYR PRO SEP ALA GLU GLY 0.440559 0.777778
35 ASP ASP LEU ASP VAL PRO SER PHE LEU GLN 0.439716 0.890625
36 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.439189 0.791667
37 TYR LEU ALA PRO GLY PRO VAL THR ALA 0.435714 0.893939
38 TYR TYR SER ILE ILE PRO HIS SER ILE 0.434483 0.842857
39 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.433121 0.797297
40 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.431507 0.907692
41 GLN MET PRO THR GLU ASP GLU TYR 0.431507 0.826087
42 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.428571 0.8
43 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.428571 0.867647
44 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.428571 0.842857
45 SER SER TYR ARG ARG PRO VAL GLY ILE 0.426667 0.84507
46 SER THR CYS PRO ALA ALA 0.426087 0.870968
47 ASN LEU VAL PRO SER VAL ALA THR VAL 0.425373 0.846154
48 SER THR SEP PRO THR PHE ASN LYS 0.424837 0.788732
49 ARG ARG ARG GLU ARG SER PRO THR ARG 0.42446 0.757143
50 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.423841 0.923077
51 ILE THR ASP GLN VAL PRO PHE SER VAL 0.422819 0.876923
52 ASP TYR ILE ASN THR ASN VAL LEU PRO 0.422535 0.878788
53 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.421769 0.907692
54 LEU PRO SER PHE GLU THR ALA LEU 0.41958 0.890625
55 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.419118 0.848485
56 ACE PRO ALA PRO TYR 0.418803 0.8
57 PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO 0.41791 0.859375
58 LEU ASN PHE PRO ILE SER PRO 0.41791 0.850746
59 ARG VAL ALA SER PRO THR SER GLY VAL 0.417266 0.797101
60 ASP ILE ASN TYS TYS THR SER GLU PRO 0.416667 0.710843
61 ASN ASP THR SER GLN THR SER SER PRO SER OPE 0.416107 0.763889
62 VAL PRO TYR SER SER ALA GLN NAG 0.415493 0.857143
63 TYR PRO TYR 0.414414 0.78125
64 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.413793 0.835821
65 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.412903 0.777778
66 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.411348 0.850746
67 ASP LEU PRO PHE 0.41129 0.78125
68 ALA ASN SER ARG LEU PRO THR SER ILE ILE 0.410072 0.785714
69 PRO THR SER TYR ALA GLY ASP ASP SER GLY 0.409722 0.828125
70 LEU PHE GLY TYR PRO VAL TYR VAL 0.409722 0.833333
71 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.408284 0.786667
72 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.407821 0.786667
73 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.405405 0.835821
74 PHE SER HIS PRO GLN ASN THR 0.405405 0.823529
75 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.405229 0.878788
76 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.404908 0.802817
77 PHE ASN PHE PRO GLN ILE THR 0.404255 0.794118
78 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.403974 0.8
79 ARG PRO MET THR TYR LYS GLY ALA LEU 0.403614 0.763158
80 THR PRO PRO SER PRO PHE 0.403226 0.873016
81 ARG SEP PRO VAL PHE SER 0.402685 0.753425
82 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.4 0.867647
83 TYR PRO LYS ARG ILE ALA 0.4 0.760563
84 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.4 0.8
85 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.4 0.850746
86 ASN ASP TRP LEU LEU PRO SER TYR 0.4 0.857143
87 ALA ARG SER HIS SEP TYR PRO ALA 0.4 0.766234
Similar Ligands (3D)
Ligand no: 1; Ligand: ARG VAL SER PRO SER THR SER TYR THR PRO; 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 : 2FOJ; Ligand: GLY ALA ARG ALA HIS SER SER; 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: 2foj.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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