Receptor
PDB id Resolution Class Description Source Keywords
2YMT 1.8 Å NON-ENZYME: OTHER GAMMA 2 ADAPTIN EAR DOMAIN CRYSTAL STRUCTURE WITH PHAGE PEPT GEEWGPWV HOMO SAPIENS PROTEIN TRANSPORT
Ref.: THE HEPATITIS B VIRUS PRES1 DOMAIN HIJACKS HOST TRA PROTEINS BY MOTIF MIMICRY. NAT.CHEM.BIOL. V. 9 540 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PDO A:1786;
 Invalid;
 none;
 submit data
76.094 C3 H8 O2 C(CO)...
GLY GLU GLU TRP GLY PRO TRP VAL NH2 B:0;
 Valid;
 none;
 submit data
771.876 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ZHF 1.7 Å NON-ENZYME: OTHER GAMMA 2 ADAPTIN EAR DOMAIN CRYSTAL STRUCTURE WITH PRES1 SITE NPDWDFN HOMO SAPIENS PROTEIN TRANSPORT-VIRAL PROTEIN COMPLEX GAE
Ref.: THE HEPATITIS B VIRUS PRES1 DOMAIN HIJACKS HOST TRA PROTEINS BY MOTIF MIMICRY. NAT.CHEM.BIOL. V. 9 540 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2YMT - GLY GLU GLU TRP GLY PRO TRP VAL NH2 n/a n/a
2 3ZHF - ACE ASN PRO ASP TRP ASP PHE ASN NH2 n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 2YMT - GLY GLU GLU TRP GLY PRO TRP VAL NH2 n/a n/a
2 3ZHF - ACE ASN PRO ASP TRP ASP PHE ASN NH2 n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 2YMT - GLY GLU GLU TRP GLY PRO TRP VAL NH2 n/a n/a
2 3ZHF - ACE ASN PRO ASP TRP ASP PHE ASN NH2 n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLY GLU GLU TRP GLY PRO TRP VAL NH2; Similar ligands found: 47
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY GLU GLU TRP GLY PRO TRP VAL NH2 1 1
2 ALA GLN TRP GLY PRO ASP PRO ALA ALA ALA 0.573333 0.934426
3 LEU LEU TRP ASN GLY PRO ILE ALA VAL 0.560811 0.90625
4 ALA LEU TRP GLY PRO ASP PRO ALA ALA ALA 0.560811 0.935484
5 LEU LEU TRP ASN GLY PRO MET GLN VAL 0.558442 0.865672
6 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.552147 0.865672
7 LEU LEU TRP ASN GLY PRO MET ALA VAL 0.551948 0.865672
8 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.548781 0.842857
9 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.540881 0.893939
10 LEU LEU TRP ALA GLY PRO MET ALA VAL 0.54 0.892308
11 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.521739 0.828571
12 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.515924 0.84058
13 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.514451 0.867647
14 GLY SER ASP PRO TRP LYS 0.514286 0.846154
15 ALA VAL PRO TRP 0.503937 0.949153
16 ASN GLN DPR TRP GLN 0.496403 0.83871
17 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.480519 0.848485
18 ACE PRO TRP ALA THR CYS ASP SER NH2 0.473684 0.826087
19 PHE SER ASP PRO TRP GLY GLY 0.467105 0.861538
20 ALA TRP VAL ILE PRO ALA 0.466667 0.870968
21 TRP PRO TRP 0.464 0.898305
22 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.462025 0.808824
23 SER PRO LEU ASP SER LEU TRP TRP ILE 0.461039 0.880597
24 TRP GLU TYR ILE PRO ASN VAL 0.459627 0.852941
25 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.459627 0.983333
26 ACE TRP ARG VAL PRO 0.457746 0.863636
27 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.444444 0.983333
28 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.442529 0.828571
29 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.431818 0.867647
30 MET TYR TRP TYR PRO TYR 0.431373 0.808824
31 ALA PRO ALA TRP LEU PHE GLU ALA 0.43125 0.95082
32 GLN GLU GLU TRP SEP THR VAL MET 0.428571 0.615385
33 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.420455 0.863636
34 MET TRP ARG PRO TRP 0.420382 0.771429
35 ASP TRP GLU ILE VAL 0.42029 0.725806
36 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.42029 0.746032
37 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.415663 0.783784
38 ARG PHE PRO LEU THR PHE GLY TRP 0.413793 0.830986
39 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.413408 0.835821
40 GLU TYR GLY PRO LYS TRP ASN LYS 0.409722 0.825397
41 ASN ASP TRP LEU LEU PRO SER TYR 0.408284 0.842857
42 SER TRP PHE PRO 0.407143 0.859375
43 GLU ASP ASN ASP TRP ASN 0.406504 0.650794
44 ARG TYR PRO LEU THR PHE GLY TRP 0.405556 0.808219
45 ALA SER LEU ASN LEU PRO ALA VAL SER TRP 0.403614 0.865672
46 ARG VAL LYS GLU LYS TYR GLN HIS LEU TRP 0.402878 0.741935
47 MDL 0.4 0.735294
Similar Ligands (3D)
Ligand no: 1; Ligand: GLY GLU GLU TRP GLY PRO TRP VAL NH2; 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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