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
724.789 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
Ligand no: 1; Ligand: ARG VAL SER PRO SER THR SER TYR THR PRO; Similar ligands found: 105
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG VAL SER PRO SER THR SER TYR THR PRO 1 1
2 PRO THR SEP PRO SER TYR 0.629032 0.852941
3 SER TYR SEP PRO THR SEP PRO SEP TYR SER 0.593496 0.838235
4 GLY THR SER SER PRO SER ALA ASP 0.556522 0.870968
5 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.553719 0.904762
6 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.545455 0.923077
7 TYR SEP PRO THR SEP PRO SER 0.540984 0.84058
8 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.529412 0.819444
9 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.514706 0.923077
10 VAL TYR ILE HIS PRO PHE 0.507143 0.794118
11 HIS SER ILE THR TYR LEU LEU PRO VAL 0.486486 0.882353
12 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.486301 0.819444
13 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.485294 0.892308
14 VAL PRO LEU ARG PRO MET THR TYR 0.482759 0.797297
15 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.482517 0.876923
16 SER PRO THR SER PRO SEP TYR SER PRO PRO 0.478571 0.852941
17 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.47651 0.882353
18 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.472973 0.863636
19 TYR PRO TYR 0.472222 0.793651
20 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.463576 0.842857
21 ALA ASN SER ARG LEU PRO THR SER ILE ILE 0.46281 0.873016
22 LEU SER SER PRO VAL THR LYS SER PHE 0.460432 0.904762
23 VAL PRO TYR SER SER ALA GLN NAG 0.457143 0.869565
24 VAL TYR PRO IAS HIS ALA 0.457143 0.80597
25 GLN ASN TYR PRO ILE VAL GLN 0.455882 0.848485
26 TYR TYR SER ILE ALA PRO HIS SER ILE 0.455782 0.855072
27 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.455172 0.90625
28 SER SER PHE TYR PRO SEP ALA GLU GLY 0.453901 0.788732
29 TYR LEU ALA PRO GLY PRO VAL THR ALA 0.453237 0.907692
30 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.451389 0.921875
31 ILE THR ASP GLN VAL PRO PHE SER VAL 0.44898 0.876923
32 TYR TYR SER ILE ILE PRO HIS SER ILE 0.448276 0.855072
33 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.448276 0.855072
34 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.446154 0.854839
35 N7P THR SEP PRO SER TYR SET 0.446043 0.830986
36 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.444444 0.921875
37 TYR PRO PHE PHE NH2 0.441667 0.822581
38 ARG ARG ARG GLU ARG SER PRO THR ARG 0.441176 0.757143
39 SER SER TYR ARG ARG PRO VAL GLY ILE 0.44 0.84507
40 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.437956 0.863636
41 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.4375 0.794521
42 ILE SER PRO ARG THR LEU ASP ALA TRP 0.437126 0.773333
43 ARG VAL ALA SER PRO THR SER GLY VAL 0.434783 0.797101
44 SER TYR SER PRO THR SEP PRO SER 0.434426 0.794118
45 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.434211 0.8
46 LEU PRO PHE GLU LYS SER THR VAL MET 0.434211 0.838235
47 LEU PHE GLY TYR PRO VAL TYR VAL 0.433566 0.846154
48 TYR PRO LYS ARG ILE ALA 0.432624 0.760563
49 GLN MET PRO THR GLU ASP GLU TYR 0.431507 0.826087
50 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.431507 0.733333
51 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.430556 0.818182
52 SER ASP ILE LEU PHE PRO ALA ASP SER 0.428571 0.875
53 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.426136 0.786667
54 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.424051 0.797297
55 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.423841 0.923077
56 SER THR CYS PRO ALA ALA 0.422414 0.885246
57 PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO 0.422222 0.873016
58 ASN LEU VAL PRO SER VAL ALA THR VAL 0.422222 0.846154
59 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.422078 0.852941
60 SER HIS SEP SER PRO ALA SER LEU 0.421769 0.777778
61 ARG SEP PRO VAL PHE SER 0.421769 0.753425
62 GLU ALA ASP PRO THR GLY HIS SER TYR 0.421384 0.880597
63 THR PRO PRO SER PRO PHE 0.420635 0.887097
64 ALA ARG SER HIS SEP TYR PRO ALA 0.420382 0.766234
65 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.42 0.876923
66 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.42 0.791667
67 ARG PRO MET THR TYR LYS GLY ALA LEU 0.419753 0.763158
68 SER THR SEP PRO THR PHE ASN LYS 0.418301 0.788732
69 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.417808 0.8
70 VAL MET ALA PRO ARG THR LEU PHE LEU 0.415584 0.733333
71 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.415205 0.75
72 PHE SER ALA PTR PRO SER GLU GLU ASP 0.414474 0.816901
73 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.414286 0.78125
74 CYS THR PRO SER ARG 0.414062 0.768116
75 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.413333 0.846154
76 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.413333 0.846154
77 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.4125 0.880597
78 SER MET PRO GLU LEU SER PRO VAL LEU 0.411348 0.808824
79 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.410959 0.835821
80 ARG TYR PRO LEU THR PHE GLY TRP 0.410714 0.773333
81 SER ALA PRO ASP THR ARG PRO ALA 0.410072 0.774648
82 LEU PRO GLU THR GLY 0.409836 0.84127
83 ARG SER ALA SEP GLU PRO SER LEU 0.409396 0.701299
84 LEU PRO PHE ASP LYS SER THR ILE MET 0.408805 0.826087
85 LEU ASN PHE PRO ILE SER PRO 0.408759 0.850746
86 PHE SER HIS PRO GLN ASN THR 0.408163 0.823529
87 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.407186 0.786667
88 ALA THR PRO PHE GLN GLU 0.40678 0.866667
89 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.406452 0.777778
90 SER SER CYS PRO LEU SER LYS 0.40625 0.857143
91 THR LEU PRO TRP ASP LEU TRP THR THR 0.405405 0.823529
92 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.405229 0.850746
93 GLU LYS PRO SER SER SER 0.404959 0.809524
94 PHE ASN PHE PRO GLN ILE THR 0.404255 0.794118
95 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.403974 0.675
96 DPN PRO DAR DTH NH2 0.403101 0.776119
97 SER GLU CYS THR THR PRO CYS 0.403101 0.857143
98 MET TYR TRP TYR PRO TYR 0.402778 0.732394
99 ARG VAL ALA SEP PRO THR SER GLY VAL 0.402685 0.733333
100 ASN ASP TRP LEU LEU PRO SER TYR 0.402516 0.857143
101 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.401316 0.84058
102 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.4 0.808219
103 LYS THR PHE PRO PRO THR GLU PRO LYS 0.4 0.873016
104 PRO SER TYR SEP PRO THR SEP PRO SER 0.4 0.779412
105 MAA LYS PRO PHE 0.4 0.741935
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: 7
This union binding pocket(no: 1) in the query (biounit: 2foj.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4UZI IMD 0.02074 0.40754 1.93548
2 5FPE 3TR 0.0003755 0.4076 3.22581
3 2PKA BEN 0.009607 0.40959 4.60526
4 2W68 SIA GAL BGC 0.01858 0.40181 5.80645
5 2IRY DGT 0.01637 0.40812 7.74194
6 2B6N ALA PRO THR 0.02636 0.40093 7.74194
7 3IVV ASP GLU VAL THR SER THR THR SER SER SER 0.00002244 0.53338 20
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