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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 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 1443 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 1205 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 1039 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: 66
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY GLU GLU TRP GLY PRO TRP VAL NH2 1 1
2 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.584906 0.865672
3 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.58125 0.842857
4 ALA GLN TRP GLY PRO ASP PRO ALA ALA ALA 0.577181 0.934426
5 ALA LEU TRP GLY PRO ASP PRO ALA ALA ALA 0.575342 0.935484
6 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.574194 0.828571
7 LEU LEU TRP ASN GLY PRO MET ALA VAL 0.565789 0.865672
8 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.55414 0.893939
9 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.544379 0.867647
10 GLU TYR GLY PRO LYS TRP ASN LYS 0.533333 0.833333
11 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.529032 0.84058
12 ALA VAL PRO TRP 0.52 0.949153
13 GLY SER ASP PRO TRP LYS 0.514286 0.846154
14 GLU PRO GLN ALA PRO TRP MET GLU 0.503311 0.848485
15 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.503311 0.848485
16 ASN GLN DPR TRP GLN 0.5 0.83871
17 ACE PRO TRP ALA THR CYS ASP SER NH2 0.496644 0.826087
18 TRP PRO TRP 0.491803 0.898305
19 SER PRO LEU ASP SER LEU TRP TRP ILE 0.483444 0.880597
20 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.481013 0.983333
21 TRP GLU TYR ILE PRO ASN VAL 0.481013 0.852941
22 PHE SER ASP PRO TRP GLY GLY 0.48 0.861538
23 THR LEU PRO TRP ASP LEU TRP THR THR 0.473333 0.878788
24 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.470588 0.828571
25 PRO GLN PRO VAL ASP SER TRP VAL 0.467949 0.892308
26 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.465409 0.983333
27 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.462025 0.808824
28 MET TRP ARG PRO TRP 0.460526 0.771429
29 GLU LEU ASP LYS TRP ALA GLY 0.451389 0.806452
30 ASP TRP GLU ILE VAL 0.444444 0.725806
31 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.442529 0.867647
32 ARG PHE PRO LEU THR PHE GLY TRP 0.441176 0.830986
33 SER TRP PHE PRO 0.441176 0.859375
34 GLU LEU ASP ORN TRP ALA SER 0.435374 0.753846
35 GLU LEU ASP LYS TRP ALA SER 0.432432 0.769231
36 ARG TYR PRO LEU THR PHE GLY TRP 0.431818 0.808219
37 GLU LEU GLU LYS TRP ALA SER 0.431507 0.809524
38 GLN GLU GLU TRP SEP THR VAL MET 0.428571 0.615385
39 ASN ASP TRP LEU LEU PRO SER TYR 0.427711 0.842857
40 LYS TRP LYS 0.427419 0.79661
41 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.425414 0.808219
42 LEU LEU GLU LEU ASP LYS TRP ALA NH2 0.424658 0.819672
43 GLU LEU ASP HIS TRP ALA SER 0.423841 0.716418
44 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.423729 0.835821
45 PRO LYS LEU GLU PRO TRP LYS HIS PRO 0.422857 0.920635
46 GLU ASN ASP LYS TRP ALA SER 0.422819 0.727273
47 GLU GLN ASP LYS TRP ALA SER 0.42 0.765625
48 GLU LEU ASP LYS TRP ALA ASN 0.42 0.78125
49 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.419355 0.786667
50 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.417266 0.746032
51 GLU LEU ASP HOX TRP ALA SER 0.417219 0.716418
52 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.416667 0.783784
53 GLU LEU ASP NRG TRP ALA SER 0.415094 0.64557
54 GLU ALA ASP LYS TRP GLN SER 0.413333 0.765625
55 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.409574 0.773333
56 TRP GLU GLU LEU 0.409449 0.766667
57 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.408602 0.783784
58 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.407609 0.763158
59 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.404624 0.852941
60 MET ASN TRP ASN ILE 0.40458 0.661538
61 GLU ASP ASN ASP TRP ASN 0.403226 0.650794
62 ASP TRP ASN 0.403226 0.650794
63 MDL 0.402878 0.735294
64 ARG LEU TRP SER 0.402878 0.695652
65 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.401198 0.791667
66 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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