Receptor
PDB id Resolution Class Description Source Keywords
2FOP 2.1 Å EC: 3.1.2.15 THE CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HAUSP/USP7 WITH MDM2 PEPTIDE 147-150 HOMO SAPIENS MATH DOMAIN HYDROLASE
Ref.: MOLECULAR RECOGNITION OF P53 AND MDM2 BY USP7/HAUSP NAT.STRUCT.MOL.BIOL. V. 13 285 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLU LYS PRO SER SER SER B:142;
Valid;
none;
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633.656 n/a O=C([...
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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: GLU LYS PRO SER SER SER; Similar ligands found: 68
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU LYS PRO SER SER SER 1 1
2 GLU LEU PRO LEU VAL LYS ILE 0.547826 0.816667
3 LYS PRO LYS 0.533333 0.854545
4 VAL LYS PRO GLY 0.515464 0.844828
5 SER SER CYS PRO LEU SER LYS 0.5 0.883333
6 LYS PRO HIS SER ASP 0.5 0.916667
7 GLY ASP CYS PHE SER LYS PRO ARG 0.492537 0.859375
8 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.488889 0.80303
9 GLU ALA LYS PRO 0.485149 0.875
10 THR THR ALA PRO SER LEU SER GLY LYS 0.483871 0.901639
11 SER SER GLY LYS VAL PRO LEU SER 0.478632 0.932203
12 ASN ARG PRO ILE LEU SER LEU 0.47541 0.80597
13 1IP CYS PHE SER LYS PRO ARG 0.474074 0.820895
14 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.472868 0.746269
15 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.472222 0.852459
16 GLU PHE SER PRO 0.466667 0.912281
17 GLY SER ASP PRO PHE LYS 0.461538 0.964912
18 SER PRO LYS ARG ILE ALA 0.461538 0.8125
19 GLY GLY CYS PHE SER LYS PRO LYS MYR 0.460993 0.873016
20 LYS THR PHE PRO PRO THR GLU PRO LYS 0.458647 0.885246
21 GLU PRO GLY GLY SER ARG 0.456897 0.885246
22 SER SER GLY LYS VAL PRO LEU 0.452991 0.915254
23 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.448529 0.887097
24 ARG LEU PRO ALA LYS ALA PRO LEU LEU 0.445312 0.731343
25 LYS ARG ARG ARG HIS PRO SER GLY 0.442748 0.830769
26 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.442029 0.819672
27 ARG SER ALA SEP GLU PRO SER LEU 0.441176 0.774648
28 PRO PRO LEU ALA SER LYS 0.440678 0.883333
29 LYS SER LYS 0.436782 0.745455
30 SER MET PRO GLU LEU SER PRO VAL LEU 0.434426 0.859375
31 LEU SER SER PRO VAL THR LYS SER PHE 0.432836 0.854839
32 ALA GLY SER VAL GLU GLN TPO PRO LYS LYS 0.432624 0.820895
33 LYS LEU THR PRO LEU CYS VAL THR LEU 0.432 0.868852
34 ARG PRO LYS PRO LEU VAL ASP PRO 0.428571 0.712121
35 THR LYS PRO ARG 0.428571 0.770492
36 SER GLU CYS THR THR PRO CYS 0.42735 0.915254
37 GLY PRO SER SER GLY GLY 0.427184 0.981818
38 LEU PRO PHE GLU LYS SER THR VAL MET 0.426573 0.833333
39 ACE GLY LYS SER PHE SER LYS PRO ARG 0.423077 0.901639
40 GLU TYR GLY PRO LYS TRP ASN LYS 0.422764 0.819672
41 5JP PRO LYS ARG ILE ALA 0.422764 0.787879
42 ACE GLY LYS SER PHE SER LYS PRO ARG MYR 0.421769 0.873016
43 SER ALA PRO ASP THR ARG PRO ALA 0.418605 0.833333
44 SER LEU ILE PRO TPO PRO ASP LYS 0.41791 0.797101
45 MAA LYS PRO PHE 0.417391 0.766667
46 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.417323 0.916667
47 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.415493 0.818182
48 GLY SER ASP PRO TRP LYS 0.415385 0.901639
49 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.412214 0.859375
50 LYS ARG ARG ARG HIS PRO SER 0.412214 0.784615
51 PRO SER ILE ASP ARG SER THR LYS PRO 0.411348 0.820895
52 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.410448 0.846154
53 LEU PRO PRO PRO GLU SER GLU SER LYS VAL 0.409091 0.844828
54 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.408759 0.779412
55 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.406061 0.733333
56 ARG PRO LYS ARG ILE ALA 0.404762 0.753846
57 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.404412 0.84375
58 PRO LEU SER LYS 0.403846 0.79661
59 GLY VAL VAL ALA SER GLN PRO ALA ARG VAL 0.403226 0.913793
60 ACE ILE GLU PRO ASJ 0.401786 0.847458
61 GLY THR SER SER PRO SER ALA ASP 0.401709 0.913793
62 ARG PRO PRO LYS PRO ARG PRO ARG 0.401639 0.741935
63 THR THR ALA PRO PHE LEU SER GLY LYS 0.401408 0.873016
64 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.401361 0.833333
65 LEU PRO SER PHE GLU THR ALA LEU 0.4 0.870968
66 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.4 0.753846
67 LEU PRO PHE ASP LYS SER THR ILE MET 0.4 0.820895
68 SER SER CYS SER SER CYS PRO LEU SER LYS 0.4 0.80597
Similar Ligands (3D)
Ligand no: 1; Ligand: GLU LYS PRO SER SER SER; 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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