Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY ALA ARG ALA HIS SER SER B:361;
Valid;
none;
submit data
685.72 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
Ligand no: 1; Ligand: GLY ALA ARG ALA HIS SER SER; Similar ligands found: 67
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY ALA ARG ALA HIS SER SER 1 1
2 LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL 0.619469 0.873016
3 LYS GLY GLY ALA ALY ARG HIS ARG 0.532258 0.873016
4 VAL ALA ARG SER 0.510417 0.737705
5 THR SER ARG HIS LYS ALY LEU MET ALA 0.503759 0.867647
6 GLY SER SER HIS HIS HIS HIS HIS 0.49505 0.790323
7 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.492188 0.80303
8 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.488 0.84127
9 ALA LYS PHE ARG HIS ASP 0.479339 0.84127
10 HIS HIS ALA SER PRO ARG LYS 0.471014 0.782609
11 LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE 0.469697 0.84127
12 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.465116 0.811594
13 ASP ALA GLU PHE ARG HIS ASP 0.463415 0.854839
14 GLY HIS ARG PRO 0.461538 0.75
15 GLY HIS ARG PRO NH2 0.461538 0.720588
16 ALA HIS ALA LYS ALA 0.458716 0.704918
17 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.457364 0.873016
18 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.456522 0.757576
19 PHE ASN GLU LEU SER HIS LEU 0.45614 0.806452
20 THR GLY 2MR ALA ARG ALA ARG ALA 0.453704 0.741935
21 LYS SER HIS GLN GLU 0.452991 0.836066
22 SER ARG ASP HIS SER ARG THR PRO MET 0.452703 0.797297
23 ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.451852 0.826087
24 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.448276 0.721311
25 ALA GLN PHE SER ALA SER ALA SER ARG 0.445378 0.836066
26 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.445312 0.80303
27 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.442748 0.791045
28 ASP HIS ASP ALA HIS ALA 0.440367 0.721311
29 SER HIS MET ALA GLU ILE 0.44 0.772727
30 ASP ALA GLU PHE ARG HIS ASP SER 0.439394 0.854839
31 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.439394 0.765625
32 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.4375 0.732394
33 SER HIS VAL ALA VAL GLU ASN ALA LEU 0.430769 0.83871
34 LYS ARG ARG ARG HIS PRO SER GLY 0.42963 0.823529
35 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.428571 0.787879
36 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.428571 0.791045
37 LYS HIS LYS 0.427184 0.704918
38 VAL VAL SER HIS PHE ASN ASP 0.425197 0.809524
39 ALA HIS HIS 0.42268 0.655738
40 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.421769 0.865672
41 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.421429 0.757576
42 ALA ARG SER HIS SEP TYR PRO ALA 0.421053 0.721519
43 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN 0.42069 0.75
44 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.417808 0.77027
45 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.417266 0.731343
46 GLY ASN PHE LEU GLN SER ARG 0.415385 0.8125
47 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.414966 0.890625
48 ACE SER HIS VAL ALA VAL GLU ASN ALA LEU 0.414815 0.854839
49 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.414141 0.7
50 LYS PRO HIS SER ASP 0.414062 0.75
51 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.413793 0.838235
52 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.410596 0.816901
53 THR ASP HIS GLY ALA GLU 0.409836 0.83871
54 LYS ARG ARG ARG HIS PRO SER 0.407407 0.779412
55 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.406897 0.830769
56 TYR HIS SEP VAL VAL ARG TYR ALA 0.406897 0.756757
57 ARG ARG ALA ALA 0.405941 0.716667
58 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.405797 0.69697
59 PHE ARG SER LYS GLY GLU GLU LEU PHE THR 0.405594 0.787879
60 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.40411 0.815385
61 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.403846 0.786667
62 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.403226 0.734375
63 SER HIS PRO ARG PRO ILE ARG VAL 0.402778 0.816901
64 GLY LYS ILE SER LYS HIS TRP THR GLY ILE 0.401316 0.779412
65 VAL ALA PHE ARG SER 0.4 0.741935
66 ACE LEU HIS SER TPO ALA NH2 0.4 0.714286
67 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.4 0.772727
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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