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
772.884 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 SITE1 PEPTIDE 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 1256 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 1068 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 922 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
Ligand no: 1; Ligand: GLY GLU GLU TRP GLY PRO TRP VAL NH2; Similar ligands found: 60
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY GLU GLU TRP GLY PRO TRP VAL NH2 1 1
2 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.586667 0.878788
3 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.585987 0.84058
4 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.583333 0.850746
5 ALA LEU TRP GLY PRO ASP PRO ALA ALA ALA 0.573427 0.934426
6 ALA GLN TRP GLY PRO ASP PRO ALA ALA ALA 0.571429 0.918033
7 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.568627 0.814286
8 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.538922 0.852941
9 ALA VAL PRO TRP 0.532787 0.931035
10 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.522581 0.826087
11 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.513514 0.833333
12 GLU PRO GLN ALA PRO TRP MET GLU 0.510067 0.833333
13 GLY SER ASP PRO TRP LYS 0.50365 0.84375
14 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.493506 0.983051
15 PHE SER ASP PRO TRP GLY GLY 0.489796 0.859375
16 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.48366 0.794118
17 MET TYR TRP TYR PRO TYR 0.482517 0.80597
18 TRP PRO TRP 0.479339 0.896552
19 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.477419 0.983051
20 ACE TRP ARG VAL PRO 0.467626 0.848485
21 TRP GLU TYR ILE PRO ASN VAL 0.464968 0.838235
22 MET TRP ARG PRO TRP 0.459459 0.757143
23 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.457831 0.814286
24 SER PRO LEU ASP SER LEU TRP TRP ILE 0.453947 0.878788
25 THR LEU PRO TRP ASP LEU TRP THR THR 0.453333 0.876923
26 ARG PHE PRO LEU THR PHE GLY TRP 0.451807 0.816901
27 ARG TYR PRO LEU THR PHE GLY TRP 0.444444 0.794521
28 PRO GLN PRO VAL ASP SER TRP VAL 0.44375 0.876923
29 SER TRP PHE PRO 0.440298 0.857143
30 ALA PRO ALA TRP LEU PHE GLU ALA 0.43949 0.95
31 ASP TRP GLU ILE VAL 0.432836 0.721311
32 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.432749 0.852941
33 GLU LEU ASP LYS TRP ALA GLY 0.432624 0.803279
34 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.430464 0.777778
35 PHE LYS TPO GLU GLY PRO ASP SER ASP 0.429487 0.73913
36 ASN ASP TRP LEU LEU PRO SER TYR 0.429448 0.828571
37 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.426966 0.794521
38 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.426901 0.848485
39 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.420765 0.773333
40 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.420382 0.820895
41 LYS TRP LYS 0.420168 0.775862
42 MDL 0.419118 0.746269
43 GLU LEU GLU LYS TRP ALA SER 0.41844 0.806452
44 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.417143 0.75
45 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.416185 0.818182
46 PRO LYS LEU GLU PRO TRP LYS HIS PRO 0.416185 0.903226
47 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.41573 0.77027
48 GLN GLU GLU TRP SEP THR VAL MET 0.414474 0.61039
49 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.410811 0.76
50 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.410256 0.735294
51 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.409357 0.777778
52 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.408759 0.730159
53 TRP GLU GLU LEU 0.408 0.762712
54 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.407186 0.723684
55 GLU LEU ASP LYS TRP ALA SER 0.406897 0.765625
56 GLU ALA ASP LYS TRP GLN SER 0.40411 0.75
57 MET ASN TRP ASN ILE 0.403101 0.646154
58 GLU LEU ASP ORN TRP ALA SER 0.401361 0.75
59 HIS VAL GLY PRO ILE ALA 0.4 0.854839
60 ARG LEU TRP SER 0.4 0.681159
Similar Binding Sites (Proteins are less than 50% similar to leader)
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