Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1787;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
PEG A:1786;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
ACE ASN PRO ASP TRP ASP PHE ASN NH2 B:2;
Valid;
none;
submit data
791.819 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: ACE ASN PRO ASP TRP ASP PHE ASN NH2; Similar ligands found: 60
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE ASN PRO ASP TRP ASP PHE ASN NH2 1 1
2 PRO ALA TRP LEU PHE GLU ALA 0.577778 0.842105
3 ASP GLU ASP LYS TRP ASP ASP PHE 0.540984 0.90566
4 THR PRO ASP TYR PHE LEU 0.537815 0.754098
5 PRO GLN PHE SER LEU TRP LYS ARG 0.52518 0.819672
6 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.50365 0.703125
7 ILE ASP TRP PHE ASP GLY LYS ASP 0.496403 0.844828
8 PRO GLN PRO VAL ASP SER TRP VAL 0.493421 0.772727
9 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.493056 0.783333
10 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.487654 0.825397
11 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.486301 0.766667
12 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.483607 0.666667
13 ILE ASP TRP PHE ASP GLY LYS GLU 0.479167 0.844828
14 PRO LEU PAT 0.47541 0.692308
15 PCA ASN TRP 0.475 0.87037
16 ASP TRP ASN 0.469027 0.849057
17 GLU ASP ASN ASP TRP ASN 0.469027 0.849057
18 ILE ASP TRP PHE GLU GLY LYS GLU 0.468966 0.844828
19 ALA LEU ASP LYS TRP ASP 0.468254 0.824561
20 SER TRP PHE PRO 0.465116 0.777778
21 ALA TRP LEU PHE GLU ALA 0.462121 0.736842
22 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.459119 0.666667
23 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.453846 0.857143
24 ALA ALA TRP LEU PHE GLU ALA 0.452555 0.736842
25 MET ASN TRP ASN ILE 0.45082 0.789474
26 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.448052 0.786885
27 GLU LEU ASP LYS TRP ALA ASN 0.446043 0.877193
28 GLU LEU ASP HOX TRP ALA SER 0.440559 0.730159
29 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.439394 0.809524
30 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.439024 0.742857
31 GLU ASN ASP LYS TRP ALA SER 0.438849 0.862069
32 ALA PRO ALA TRP LEU PHE GLU ALA 0.432258 0.75
33 ASN ASP TRP LEU LEU PRO SER TYR 0.43125 0.757143
34 ACE ASN TRP GLU THR PHE 0.429577 0.79661
35 ALA LEU ASP LYS TRP ALA SER 0.426471 0.770492
36 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.42515 0.742857
37 MET ASP TRP ASN MET HIS ALA ALA 0.424658 0.803279
38 LEU LEU GLU LEU ASP LYS TRP ALA NH2 0.423611 0.807018
39 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.421348 0.704225
40 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.421053 0.793103
41 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.421053 0.757576
42 SER PRO LEU ASP SER LEU TRP TRP ILE 0.418301 0.75
43 GLU GLN ASP LYS TRP ALA SER 0.415493 0.844828
44 GLU ALA ASP LYS TRP GLN SER 0.415493 0.844828
45 MET TYR TRP TYR PRO TYR 0.414966 0.681159
46 GLU LEU ASP LYS TRP ALA GLY 0.414286 0.779661
47 PCA GLN TRP 0.412698 0.833333
48 ACE PRO TRP ALA THR CYS ASP SER NH2 0.411765 0.724638
49 LYS TRP LYS 0.410256 0.849057
50 PRO LYS LEU GLU PRO TRP LYS HIS PRO 0.409357 0.765625
51 GLU LEU ASP LYS TRP ALA SER 0.408451 0.770492
52 THR LEU PRO TRP ASP LEU TRP THR THR 0.407895 0.772727
53 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.406667 0.731343
54 PCA LYS TRP 0.40625 0.87037
55 PRO SER M3L PHE NLW 0.406015 0.642857
56 PHE SER ASP PRO TRP GLY GLY 0.405229 0.809524
57 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.403509 0.746269
58 GLU LEU ASP ORN TRP ALA SER 0.402778 0.754098
59 GLY LEU MET TRP LEU SER TYR PHE VAL 0.402597 0.691176
60 ALA LEU ASP LYS TRP GLN ASN 0.401515 0.807018
Similar Binding Sites (Proteins are less than 50% similar to leader)
Feedback