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
830.876 n/a O=C([...
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 1256 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 1068 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 922 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
Ligand no: 1; Ligand: ASP ASP TRP ASN TRP GLU VAL GLU ASP; Similar ligands found: 88
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP ASP TRP ASN TRP GLU VAL GLU ASP 1 1
2 ASP TRP GLU ILE VAL 0.638889 0.849057
3 GLU ASP ASN ASP TRP ASN 0.631579 0.882353
4 ASP TRP ASN 0.631579 0.882353
5 MET ASN TRP ASN ILE 0.596154 0.886792
6 ASP ASN TRP GLN ASN GLY THR SER 0.585366 0.79661
7 ALA SER ASN GLU ASN TRP GLU THR MET 0.556452 0.761905
8 GLU ASN ASP LYS TRP ALA SER 0.54918 0.79661
9 ACE GLU TRP TRP TRP 0.54902 0.846154
10 ASP GLU ASP LYS TRP ASP ASP PHE 0.53913 0.8
11 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.529851 0.753846
12 LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP 0.52027 0.757576
13 GLU ALA ASP LYS TRP GLN SER 0.52 0.779661
14 GLU LEU ASP LYS TRP ALA ASN 0.52 0.875
15 GLU GLN ASP LYS TRP ALA SER 0.52 0.779661
16 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.516949 0.75
17 ALA TRP LEU PHE GLU ALA 0.516667 0.865385
18 LEU LEU GLU LEU ASP LYS TRP ALA NH2 0.515625 0.803571
19 MET ASP TRP ASN MET HIS ALA ALA 0.515385 0.830508
20 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.514286 0.877193
21 TRP GLU GLU LEU 0.504673 0.830189
22 ALA ALA TRP LEU PHE GLU ALA 0.504 0.865385
23 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.5 0.847458
24 GLU LEU ASP LYS TRP ALA GLY 0.496 0.775862
25 TYR GLU TRP 0.495495 0.763636
26 LYS TRP LYS 0.495146 0.745455
27 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.492754 0.803279
28 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.488722 0.783333
29 ALA LEU ASP LYS TRP ASP 0.487179 0.821429
30 GLU LEU GLU LYS TRP ALA SER 0.48 0.75
31 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.478261 0.875
32 GLU LEU ASP HOX TRP ALA SER 0.477273 0.813559
33 GLU LEU ASP LYS TRP ALA SER 0.476562 0.766667
34 FME ASP VAL GLU ALA TRP LEU 0.474453 0.775862
35 GLU LEU ASP HIS TRP ALA SER 0.473684 0.827586
36 GLU LEU ASP ORN TRP ALA SER 0.469231 0.779661
37 LEU ASP GLU PTR VAL ALA THR ARG 0.469027 0.629032
38 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.467153 0.847458
39 ACE ASN TRP GLU THR PHE 0.465649 0.890909
40 ILE ASP TRP PHE GLU GLY LYS GLU 0.463768 0.779661
41 ILE ASP TRP PHE ASP GLY LYS GLU 0.463768 0.779661
42 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.459854 0.753846
43 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.455224 0.783333
44 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.455172 0.790323
45 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.455128 0.714286
46 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.453846 0.857143
47 PRO ALA TRP LEU PHE GLU ALA 0.453237 0.807018
48 TRP GLU TYR ILE PRO ASN VAL 0.452703 0.735294
49 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.451613 0.714286
50 LYS TRP 0.45098 0.690909
51 ALA LEU ASP LYS TRP GLN ASN 0.45 0.803571
52 GLN GLU GLU TRP SEP THR VAL MET 0.449275 0.671429
53 TYR TRP ALA ALA ALA ALA 0.449153 0.745455
54 ASP PHE GLU ASP TYR GLU PHE ASP 0.448276 0.678571
55 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.448276 0.705882
56 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.444444 0.661972
57 ALA LEU ASP LYS TRP ALA SER 0.440945 0.766667
58 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.440678 0.781818
59 ARG LEU TRP SER 0.438017 0.676923
60 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.4375 0.712121
61 PCA ASN TRP 0.431034 0.867925
62 ARG ARG ARG ARG SER TRP TYR 0.430769 0.671642
63 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.430556 0.890909
64 GLU LEU ASP NRG TRP ALA SER 0.430556 0.626667
65 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.430464 0.723077
66 VAL ASP SER LYS ASN THR SER SER TRP 0.42963 0.816667
67 ILE ASP TRP PHE ASP GLY LYS ASP 0.427536 0.779661
68 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.427481 0.774194
69 ALA PRO ALA TRP LEU PHE GLU ALA 0.425676 0.71875
70 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.423841 0.753846
71 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.421769 0.676471
72 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.421384 0.657534
73 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.42 0.786885
74 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.416107 0.647059
75 ASP PHE GLU GLU ILE 0.415929 0.666667
76 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.414815 0.761905
77 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.413793 0.707692
78 SER HIS PHE ASN GLU TYR GLU 0.413043 0.770492
79 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.410448 0.738462
80 GLU PRO GLN ALA PRO TRP MET GLU 0.409396 0.676471
81 GLY GLU GLU TRP GLY PRO TRP VAL NH2 0.408759 0.730159
82 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.407692 0.733333
83 ASN ASP TRP LEU LEU PRO SER TYR 0.406452 0.728571
84 SER LEU LEU MET TRP ILE THR GLN ALA 0.402778 0.75
85 LYS ARG TRP ILE ILE MET GLY LEU ASN LYS 0.402516 0.710145
86 SER LEU LEU MET TRP ILE THR GLN LEU 0.401408 0.75
87 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.4 0.701493
88 SER LEU LEU MET TRP ILE THR GLN VAL 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
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