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([...
View in 3D viewer
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 257 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 222 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 185 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
Ligand no: 1; Ligand: PRO GLU ALA THR ALA PRO PRO GLU GLU; Similar ligands found: 41
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 0.81982 1
3 PRO LYS THR PRO LYS LYS ALA LYS LYS LEU 0.507576 0.881356
4 ACE PRO GLN GLN ALA THR ASP ASP 0.504132 0.844828
5 PRO THR PRO SER ALA PRO VAL PRO LEU 0.488189 0.918033
6 SER GLU CYS THR THR PRO CYS 0.460938 0.9
7 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.458015 0.727273
8 LEU PRO PRO GLU GLU ARG LEU ILE 0.449275 0.735294
9 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.448276 0.85
10 LEU PRO PHE GLU ARG ALA THR VAL MET 0.447205 0.739726
11 PRO THR VAL GLU GLU VAL ASP 0.446281 0.827586
12 HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP 0.44375 0.794118
13 PRO GLN PTR GLU PTR ILE PRO ALA 0.440789 0.712329
14 LYS THR PHE PRO PRO THR GLU PRO LYS 0.44 0.949153
15 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.439716 0.885246
16 PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG 0.438849 0.813559
17 PRO GLN PTR GLU GLU ILE PRO ILE 0.434211 0.732394
18 LEU PRO PHE GLU ARG ALA THR ILE MET 0.430303 0.72973
19 ACE GLU VAL ASN PRO PRO VAL PRO NH2 0.426471 0.9
20 GLU ARG THR ILE PRO ILE THR ARG GLU 0.425532 0.820895
21 LEU PRO GLU THR GLY 0.424 0.883333
22 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.423841 0.728571
23 PRO ALA PRO PHE ALA SER ALA 0.421429 0.868852
24 ASN LEU VAL PRO MET VAL ALA THR VAL 0.42069 0.830769
25 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.417722 0.808824
26 PRO GLN PTR ILE PTR VAL PRO ALA 0.415584 0.702703
27 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.415584 0.808824
28 PRO PRO LYS ARG ILE ALA 0.414286 0.731343
29 ALA MET ALA PRO ARG THR LEU LEU LEU 0.413793 0.760563
30 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.413333 0.888889
31 PRO PRO PRO PRO PRO PRO LEU PRO PRO 0.412698 0.779661
32 PRO ALA PRO PHE ALA ALA ALA 0.411765 0.813559
33 BOC ALA ALA PRO GLU 0.41129 0.777778
34 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.410256 0.764706
35 PRO PRO PRO VAL PRO PRO TYR SER ALA GLY 0.408 0.758621
36 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.403409 0.739726
37 PRO PRO PRO PRO PRO PRO PRO PRO IYR 0.403101 0.742424
38 ASN ARG PRO VAL TYR ILE PRO PRO PRO PRO 0.402778 0.796875
39 ALA PRO THR MET PRO PRO PRO LEU PRO PRO 0.40146 0.888889
40 LYS GLY PRO PRO ALA ALA LEU THR LEU 0.401361 0.933333
41 PRO THR SER SER GLU GLN ILE 0.4 0.774194
Similar Binding Sites (Proteins are less than 50% similar to leader)
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