Receptor
PDB id Resolution Class Description Source Keywords
3OBX 1.6 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE TSG101 UEV DOMAIN IN COMPLEX WITH A P7A MUTANT PEPTIDE HOMO SAPIENS PROTEIN TRANPORT UBIQUITIN HIV-1 GAG PROTEIN TRANSPORT
Ref.: CRYSTALLOGRAPHIC AND FUNCTIONAL ANALYSIS OF THE ESC /HIV-1 GAG PTAP INTERACTION. STRUCTURE V. 18 1536 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PRO GLU ALA THR ALA PRO PRO GLU GLU B:5;
 Valid;
 none;
 Kd = 130 uM
936.95 n/a O=C([...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3OBU 1.6 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE TSG101 UEV DOMAIN IN COMPLEX WITH A PTAP PEPTIDE HOMO SAPIENS PROTEIN TRANPORT UBIQUITIN HIV-1 GAG PROTEIN TRANSPORT
Ref.: CRYSTALLOGRAPHIC AND FUNCTIONAL ANALYSIS OF THE ESC /HIV-1 GAG PTAP INTERACTION. STRUCTURE V. 18 1536 2010
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 3OBQ Kd = 290 uM PRO THR PRO SER ALA PRO VAL PRO LEU n/a n/a
2 3OBU Kd = 50 uM PRO GLU PRO THR ALA PRO PRO GLU GLU n/a n/a
3 3OBX Kd = 130 uM PRO GLU ALA THR ALA PRO PRO GLU GLU n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 3OBQ Kd = 290 uM PRO THR PRO SER ALA PRO VAL PRO LEU n/a n/a
2 3OBU Kd = 50 uM PRO GLU PRO THR ALA PRO PRO GLU GLU n/a n/a
3 3OBX Kd = 130 uM PRO GLU ALA THR ALA PRO PRO GLU GLU n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 3OBQ Kd = 290 uM PRO THR PRO SER ALA PRO VAL PRO LEU n/a n/a
2 3OBU Kd = 50 uM PRO GLU PRO THR ALA PRO PRO GLU GLU n/a n/a
3 3OBX Kd = 130 uM PRO GLU ALA THR ALA PRO PRO GLU GLU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PRO GLU ALA THR ALA PRO PRO GLU GLU; Similar ligands found: 54
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO GLU ALA THR ALA PRO PRO GLU GLU 1 1
2 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.818182 1
3 ACE GLU VAL ALA PRO PRO VAL LPD 0.512195 0.883333
4 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.5 0.887097
5 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.488722 0.901639
6 PRO THR PRO SER ALA PRO VAL PRO LEU 0.483871 0.935484
7 ACE PRO GLN GLN ALA THR ASP ASP 0.480315 0.95
8 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.464789 0.854839
9 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.463768 0.887097
10 ALA THR PRO PHE GLN GLU 0.462687 0.868852
11 SER GLU CYS THR THR PRO CYS 0.460938 0.918033
12 PRO THR VAL GLU GLU VAL ASP 0.453782 0.833333
13 LEU PRO SER PHE GLU THR ALA LEU 0.451389 0.875
14 BOC ALA ALA PRO GLU 0.449153 0.769231
15 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.448276 0.890625
16 LEU PRO PHE GLU ARG ALA THR VAL MET 0.447205 0.767123
17 LYS THR PHE PRO PRO THR GLU PRO LYS 0.445946 0.95082
18 HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP 0.44375 0.8
19 THR PRO THR ARG ASP VAL ALA THR SER PRO 0.440559 0.865672
20 PRO PRO LEU ALA SER LYS 0.439394 0.887097
21 PRO PRO PRO MET ALA GLY GLY 0.439394 0.84375
22 ACE GLU VAL ASN PRO PRO VAL PRO NH2 0.437037 0.901639
23 ASN LEU VAL PRO MET VAL ALA THR VAL 0.43662 0.833333
24 PRO PRO GLY PRO GLU GLY PRO PRO GLY 0.434109 0.864407
25 PRO GLN PTR GLU PTR ILE PRO ALA 0.433333 0.72973
26 ACE GLU VAL ASN PRO PRO VAL LPD 0.432836 0.901639
27 ASN LEU VAL PRO SER VAL ALA THR VAL 0.427536 0.888889
28 LEU PRO GLU THR GLY 0.427419 0.901639
29 PRO GLN PTR GLU GLU ILE PRO ILE 0.426667 0.75
30 LEU PRO PRO GLU GLU ARG LEU ILE 0.425532 0.764706
31 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.425373 0.757576
32 LEU PRO PHE GLU ARG ALA THR ILE MET 0.424242 0.756757
33 PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG 0.421429 0.819672
34 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.421384 0.838235
35 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.421053 0.757143
36 MET CYS PRO ARG MET THR ALA VAL MET 0.421053 0.788732
37 ASN LEU VAL PRO THR VAL ALA THR VAL 0.419118 0.887097
38 ALA VAL PRO ILE ALA GLN 0.417323 0.790323
39 ASN LEU VAL PRO VAL VAL ALA THR VAL 0.416058 0.887097
40 PRO GLN PTR ILE PTR VAL PRO ALA 0.410596 0.72
41 ALA PRO THR MET PRO PRO PRO LEU PRO PRO 0.410448 0.876923
42 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.410256 0.838235
43 PRO ALA PRO PHE ALA SER ALA 0.410072 0.887097
44 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.409938 0.84058
45 GLU PRO VAL GLU THR THR ASP TYR 0.409722 0.875
46 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.409091 0.764706
47 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.408451 0.919355
48 PRO SER TYR SEP PRO THR SEP PRO SER 0.408163 0.788732
49 THR GLY VAL ALA LEU THR PRO PRO SER 0.406897 0.919355
50 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.405405 0.892308
51 ALA MET ALA PRO ARG THR LEU LEU LEU 0.40411 0.788732
52 PRO THR SER SER GLU GLN ILE 0.403101 0.806452
53 PRO ALA PRO PHE ALA ALA ALA 0.4 0.819672
54 LEU PRO PRO PRO GLU SER GLU SER LYS VAL 0.4 0.819672
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO GLU ALA THR ALA PRO PRO GLU GLU; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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