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 (2D)
Ligand no: 1; Ligand: GLY ALA ARG ALA HIS SER SER; Similar ligands found: 59
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY ALA ARG ALA HIS SER SER 1 1
2 VAL ALA ARG SER 0.520408 0.737705
3 LYS GLY GLY ALA ALY ARG HIS ARG 0.519084 0.873016
4 THR SER ARG HIS LYS ALY LEU MET ALA 0.507353 0.867647
5 LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL 0.5 0.854839
6 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.5 0.793651
7 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.492424 0.80303
8 HIS HIS ALA SER PRO ARG LYS 0.489209 0.782609
9 ALA LYS PHE ARG HIS ASP 0.47619 0.84127
10 GLY HIS ARG PRO 0.474576 0.75
11 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.467626 0.757576
12 GLY SER SER HIS HIS HIS HIS HIS 0.466667 0.790323
13 GLY HIS ARG PRO NH2 0.462185 0.720588
14 PHE ASN GLU LEU SER HIS LEU 0.46087 0.822581
15 ASP ALA GLU PHE ARG HIS ASP SER 0.458647 0.854839
16 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.458647 0.765625
17 ALA GLN PHE SER ALA SER ALA SER ARG 0.45082 0.836066
18 LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE 0.45 0.84127
19 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.45 0.791045
20 SER ARG ASP HIS SER ARG THR PRO MET 0.447368 0.797297
21 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.44697 0.80303
22 GLY ASN CYS PHE SER LYS ARG ARG ALA ALA 0.44697 0.809524
23 ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.446043 0.826087
24 ALA HIS ALA LYS ALA 0.442478 0.737705
25 HIS MET THR GLU VAL VAL ARG HIS CYS 0.440559 0.852941
26 ARG ARG GLU VAL HIS THR TYR TYR 0.43662 0.865672
27 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.436242 0.865672
28 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.435374 0.732394
29 ACE SER HIS VAL ALA VAL GLU ASN ALA LEU 0.431818 0.854839
30 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.431655 0.791045
31 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN 0.431507 0.75
32 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.429577 0.757576
33 ASP HIS ASP ALA HIS ALA 0.428571 0.737705
34 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.427586 0.838235
35 GLY ASN PHE LEU GLN SER ARG 0.427481 0.8125
36 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.425743 0.7
37 SER HIS VAL ALA VAL GLU ASN ALA LEU 0.421053 0.83871
38 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.42029 0.727273
39 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.41958 0.779412
40 ALA ARG SER HIS SEP TYR PRO ALA 0.419355 0.721519
41 LYS SER HIS GLN GLU 0.418033 0.836066
42 ALA ILE LEU HIS ARG LEU LEU GLN 0.41791 0.809524
43 ARG ARG ALA ALA 0.417476 0.716667
44 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.416107 0.77027
45 ALA HIS HIS 0.414141 0.672131
46 SER HIS PRO ARG PRO ILE ARG VAL 0.413793 0.816901
47 LYS ARG ARG ARG HIS PRO SER GLY 0.411348 0.823529
48 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.411348 0.761194
49 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.410596 0.890625
50 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.407143 0.787879
51 THR ASP HIS GLY ALA GLU 0.406504 0.854839
52 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.40625 0.772727
53 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.40411 0.84375
54 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.403846 0.816901
55 ACE PHE HIS ALA ALA NH2 0.403509 0.66129
56 PCA PHE ARG HIS ASP SER GLY TYR GLU VAL 0.402778 0.859375
57 ACE ARG HIS ALY ALY MCM 0.40146 0.701299
58 ALA VAL TYR ASP GLY ARG GLU HIS THR VAL 0.401316 0.865672
59 SER SER ILE GLU PHE ALA ARG LEU 0.4 0.796875
Similar Ligands (3D)
Ligand no: 1; Ligand: GLY ALA ARG ALA HIS 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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