Receptor
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
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 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: ACE ASN PRO ASP TRP ASP PHE ASN NH2; Similar ligands found: 52
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 0.574627 0.862069
3 PRO ALA TRP ASP GLU THR ASN LEU 0.55 0.868852
4 ASP GLU ASP LYS TRP ASP ASP PHE 0.540323 0.925926
5 PRO GLN PHE SER LEU TRP LYS ARG 0.525547 0.836066
6 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.52518 0.770492
7 THR PRO ASP TYR PHE LEU 0.516949 0.774194
8 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.510949 0.734375
9 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.504132 0.672131
10 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.496504 0.754098
11 ACE ASN TRP GLU THR PHE 0.496183 0.783333
12 PCA ASN TRP 0.487179 0.854545
13 PRO SER ARG TRP 0.484375 0.793651
14 SER TRP PHE PRO 0.480315 0.809524
15 ILE ASP TRP PHE ASP GLY LYS ASP 0.478873 0.87931
16 ASP TRP ASN 0.469027 0.833333
17 GLU ASP ASN ASP TRP ASN 0.464286 0.833333
18 PRO LEU PAT 0.46281 0.712121
19 ILE ASP TRP PHE ASP GLY LYS GLU 0.462585 0.87931
20 PRO GLY LEU TRP LYS SER 0.460432 0.844828
21 ALA ALA TRP LEU PHE GLU ALA 0.455882 0.741379
22 ALA TRP LEU PHE GLU ALA 0.454545 0.741379
23 ILE ASP TRP PHE GLU GLY LYS GLU 0.452703 0.87931
24 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.452381 0.84375
25 PRO GLY LEU TRP 0.452381 0.844828
26 ALA LEU ASP LYS TRP ASP 0.442748 0.844828
27 GLU LEU ASP HOX TRP ALA SER 0.440559 0.746032
28 ASN ASP TRP LEU LEU PRO SER TYR 0.440252 0.771429
29 MET ASN TRP ASN ILE 0.438017 0.775862
30 ALA PRO ALA TRP LEU PHE GLU ALA 0.437909 0.753846
31 SER PRO LEU ASP SER LEU TRP TRP ILE 0.430464 0.779412
32 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.427481 0.842105
33 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.425676 0.844828
34 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.425373 0.825397
35 ACE PRO TRP ALA THR CYS ASP SER NH2 0.423841 0.753623
36 GLU LEU ASP LYS TRP ALA ASN 0.423611 0.87931
37 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.421348 0.71831
38 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.418182 0.680556
39 PHE SER ASP PRO TRP GLY GLY 0.417219 0.84127
40 GLU ASN ASP LYS TRP ALA SER 0.416667 0.87931
41 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.415094 0.78125
42 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.413174 0.757143
43 PCA GLN TRP 0.41129 0.818182
44 GLY SER ASP PRO TRP LYS 0.409722 0.825397
45 MET TYR TRP TYR PRO TYR 0.409396 0.685714
46 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.406977 0.757143
47 ALA LEU ASP LYS TRP ALA SER 0.404255 0.803279
48 ACE GLU TRP TRP TRP 0.403361 0.767857
49 GLY LEU MET TRP LEU SER TYR PHE VAL 0.401316 0.720588
50 ACE PHE MET AIB PM3 TRP GLU 1AC LEU NH2 0.401198 0.630137
51 GLU LEU ASP ORN TRP ALA SER 0.4 0.786885
52 MET ASP TRP ASN MET HIS ALA ALA 0.4 0.790323
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE ASN PRO ASP TRP ASP PHE ASN NH2; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback