Receptor
PDB id Resolution Class Description Source Keywords
5FJZ 1.9 Å NON-ENZYME: OTHER YEAST DELTA-COP-I MU-HOMOLOGY DOMAIN COMPLEXED WITH DSL1 WXWXV PEPTIDE SACCHAROMYCES CEREVISIAE PROTEIN TRANSPORT COP-I VESICLE COAT PROTEIN
Ref.: STRUCTURAL BASIS FOR THE BINDING OF TRYPTOPHAN-BASE BY DELTA-COP. PROC.NATL.ACAD.SCI.USA V. 112 14242 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP ASP TRP ASN TRP GLU VAL GLU ASP R:2;
S:2;
P:2;
Q:2;
 Valid;
Valid;
Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.302;
Atoms found LESS than expected: % Diff = 0.302;
Atoms found LESS than expected: % Diff = 0.302;
Atoms found LESS than expected: % Diff = 0.302;
 Kd = 10 uM
829.868 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FJZ 1.9 Å NON-ENZYME: OTHER YEAST DELTA-COP-I MU-HOMOLOGY DOMAIN COMPLEXED WITH DSL1 WXWXV PEPTIDE SACCHAROMYCES CEREVISIAE PROTEIN TRANSPORT COP-I VESICLE COAT PROTEIN
Ref.: STRUCTURAL BASIS FOR THE BINDING OF TRYPTOPHAN-BASE BY DELTA-COP. PROC.NATL.ACAD.SCI.USA V. 112 14242 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5FJZ Kd = 10 uM ASP ASP TRP ASN TRP GLU VAL GLU ASP n/a n/a
2 5FJX Kd = 11 uM ASP GLU ASP LYS TRP ASP ASP PHE 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 5FJZ Kd = 10 uM ASP ASP TRP ASN TRP GLU VAL GLU ASP n/a n/a
2 5FJX Kd = 11 uM ASP GLU ASP LYS TRP ASP ASP PHE 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 5FJZ Kd = 10 uM ASP ASP TRP ASN TRP GLU VAL GLU ASP n/a n/a
2 5FJX Kd = 11 uM ASP GLU ASP LYS TRP ASP ASP PHE n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ASP ASP TRP ASN TRP GLU VAL GLU ASP; Similar ligands found: 70
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP ASP TRP ASN TRP GLU VAL GLU ASP 1 1
2 GLU ASP ASN ASP TRP ASN 0.631579 0.882353
3 MET ASN TRP ASN ILE 0.601942 0.886792
4 ALA SER ASN GLU ASN TRP GLU THR MET 0.552 0.761905
5 ACE GLU TRP TRP TRP 0.54902 0.846154
6 ACE ASN TRP GLU THR PHE 0.545455 0.890909
7 ASP TRP GLU ILE VAL 0.521368 0.867925
8 ASP GLU ASP LYS TRP ASP ASP PHE 0.516667 0.803571
9 ARG ARG ARG ARG TRP ARG GLU ARG GLN 0.516393 0.737705
10 ALA TRP LEU PHE GLU ALA 0.5 0.884615
11 ASP ASN TRP GLN ASN GLY THR SER 0.496183 0.79661
12 TYR GLU TRP 0.495495 0.781818
13 ASP TRP ASN 0.495238 0.882353
14 GLU ASN ASP LYS TRP ALA SER 0.48855 0.79661
15 ALA ALA TRP LEU PHE GLU ALA 0.488189 0.884615
16 PRO ALA TRP ASP GLU THR ASN LEU 0.485714 0.819672
17 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.479675 0.75
18 FME ASP VAL GLU ALA TRP LEU 0.474453 0.775862
19 LEU ASP GLU PTR VAL ALA THR ARG 0.469027 0.645161
20 MET ASP TRP ASN MET HIS ALA ALA 0.467153 0.830508
21 GLU ALA ASP LYS TRP GLN SER 0.466165 0.779661
22 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.464789 0.803279
23 GLU GLN ASP LYS TRP ALA SER 0.462687 0.779661
24 GLU LEU ASP LYS TRP ALA ASN 0.462687 0.859649
25 TRP GLU GLU LEU 0.459459 0.849057
26 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.453782 0.8
27 GLN GLU GLU TRP SEP THR VAL MET 0.453237 0.685714
28 ALA ASN SER ARG TRP GLN VAL THR ARG VAL 0.452555 0.769231
29 ALA LEU ASP LYS TRP ASP 0.451613 0.824561
30 SER LEU LEU MET TRP ILE THR GLN VAL 0.450704 0.734375
31 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.45 0.875
32 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.45 0.8
33 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.44898 0.757576
34 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.447552 0.847458
35 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.44586 0.714286
36 GLU LEU ASP LYS TRP ALA GLY 0.443609 0.793103
37 PRO ALA TRP LEU PHE GLU ALA 0.442857 0.810345
38 ASP GLU PTR GLU ASN VAL ASP 0.442623 0.666667
39 ILE ASP TRP PHE GLU GLY LYS GLU 0.440559 0.79661
40 ILE ASP TRP PHE ASP GLY LYS GLU 0.440559 0.79661
41 ARG VAL LYS GLU LYS TYR GLN HIS LEU TRP 0.439024 0.886792
42 GLU LEU ASP HOX TRP ALA SER 0.437956 0.813559
43 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.435374 0.790323
44 PCA ASN TRP 0.434783 0.867925
45 GLU LEU ASP HIS TRP ALA SER 0.434783 0.844828
46 TRP GLU TYR ILE PRO ASN VAL 0.427632 0.735294
47 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.427481 0.842105
48 GLU LEU ASP ORN TRP ALA SER 0.426471 0.79661
49 ALA PRO ALA TRP LEU PHE GLU ALA 0.425676 0.734375
50 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.423611 0.890909
51 GLU LEU ASP LYS TRP ALA SER 0.423358 0.783333
52 GLU LEU GLU LYS TRP ALA SER 0.422222 0.766667
53 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.420732 0.714286
54 ALA LEU ASP LYS TRP GLN ASN 0.420635 0.807018
55 GLY GLU GLU TRP GLY PRO TRP VAL NH2 0.42029 0.746032
56 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.42 0.716418
57 TRP GLY 0.42 0.709091
58 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.417808 0.847458
59 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.415584 0.685714
60 LEU LEU TRP ASN GLY PRO MET GLN VAL 0.414013 0.720588
61 ALA LEU ASP LYS TRP ALA SER 0.410448 0.783333
62 LYS TRP 0.407407 0.696429
63 PCA GLN TRP 0.40678 0.796296
64 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.40625 0.661972
65 ILE ASP TRP PHE ASP GLY LYS ASP 0.405594 0.79661
66 GLU LEU ASP NRG TRP ALA SER 0.405405 0.626667
67 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.404255 0.8
68 LYS TRP LYS 0.403509 0.75
69 TYR TRP ALA ALA ALA ALA 0.401639 0.763636
70 ARG LEU TRP SER 0.401575 0.676923
Similar Ligands (3D)
Ligand no: 1; Ligand: ASP ASP TRP ASN TRP GLU VAL GLU ASP; 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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