Receptor
PDB id Resolution Class Description Source Keywords
5FJX 2.45 Å NON-ENZYME: OTHER YEAST DELTA-COP-I MU-HOMOLOGY DOMAIN COMPLEXED WITH GCS1 WXXF 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 GLU ASP LYS TRP ASP ASP PHE E:4;
D:3;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.329;
Atoms found LESS than expected: % Diff = 0.224;
Kd = 11 uM
822.829 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 GLU ASP LYS TRP ASP ASP PHE; Similar ligands found: 123
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP GLU ASP LYS TRP ASP ASP PHE 1 1
2 ALA LEU ASP LYS TRP ASP 0.663462 0.903846
3 ILE ASP TRP PHE ASP GLY LYS ASP 0.647059 0.888889
4 ILE ASP TRP PHE ASP GLY LYS GLU 0.620968 0.888889
5 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.609524 0.727273
6 ILE ASP TRP PHE GLU GLY LYS GLU 0.608 0.854545
7 GLU GLN ASP LYS TRP ALA SER 0.601695 0.854545
8 ALA LEU ASP LYS TRP ALA SER 0.596491 0.839286
9 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.59375 0.761905
10 LYS TRP LYS 0.59375 0.897959
11 GLU LEU ASP LYS TRP ALA SER 0.59322 0.839286
12 GLU ASN ASP LYS TRP ALA SER 0.59322 0.839286
13 GLU ALA ASP LYS TRP GLN SER 0.588235 0.854545
14 GLU LEU ASP LYS TRP ALA ASN 0.588235 0.854545
15 GLU ASP ASN ASP TRP ASN 0.587629 0.823529
16 ASP TRP ASN 0.587629 0.823529
17 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.577236 0.733333
18 GLU LEU ASP LYS TRP ALA GLY 0.576271 0.851852
19 GLU LEU ASP ORN TRP ALA SER 0.570248 0.821429
20 LYS TRP 0.56383 0.875
21 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.563492 0.824561
22 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.558824 0.79661
23 LEU LEU GLU LEU ASP LYS TRP ALA NH2 0.544 0.884615
24 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.541353 0.77193
25 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.540984 0.90566
26 GLU ASN GLN LYS GLU TYR PHE PHE 0.539823 0.745455
27 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.53913 0.8
28 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.534483 0.758065
29 ALA LEU ASP LYS TRP GLN ASN 0.530973 0.884615
30 ACE GLU TRP TRP TRP 0.524272 0.823529
31 ASP SER TRP LYS ASP GLY CYS TYR 0.52381 0.779661
32 ASP TRP GLU ILE VAL 0.517241 0.792453
33 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.517241 0.666667
34 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.516556 0.774194
35 ACE ASN TRP GLU THR PHE 0.515873 0.77193
36 GLU LEU ASP HOX TRP ALA SER 0.515625 0.762712
37 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.515152 0.79661
38 TYR GLU TRP 0.513761 0.807692
39 ALA TRP LEU PHE GLU ALA 0.508333 0.807692
40 GLU LEU GLU LYS TRP ALA SER 0.508197 0.789474
41 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.507937 0.741935
42 ASP ASN TRP GLN ASN GLY THR SER 0.503876 0.775862
43 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.503704 0.728814
44 PCA LYS TRP 0.5 0.882353
45 MET ASN TRP ASN ILE 0.5 0.763636
46 ALA LEU ASP LEU PHE 0.494845 0.615385
47 ASP PHE 0.494382 0.625
48 GLU LEU ASP HIS TRP ALA SER 0.48855 0.745763
49 SER TRP PHE PRO 0.487395 0.754098
50 GLU LEU ASP NRG TRP ALA SER 0.485507 0.630137
51 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.485075 0.707692
52 MET ASP TRP ASN MET HIS ALA ALA 0.484848 0.75
53 ALA ALA TRP LEU PHE GLU ALA 0.484127 0.807692
54 ASP PHE GLU ASP TYR GLU PHE ASP 0.477876 0.75
55 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.47619 0.725806
56 ASN ASP TRP LEU LEU PRO SER TYR 0.47619 0.685714
57 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.475524 0.733333
58 GLY SER ASP PRO TRP LYS 0.472868 0.770492
59 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.472603 0.703125
60 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.470588 0.79661
61 ARG LEU TRP SER 0.466102 0.68254
62 VAL ASP SER LYS ASN THR SER SER TRP 0.465649 0.79661
63 THR ASN GLU PHE TYR PHE 0.463636 0.685185
64 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.462687 0.646154
65 LYS ALC LYS 0.459184 0.734694
66 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.457364 0.692308
67 GLY LEU MET TRP LEU SER TYR PHE VAL 0.457143 0.692308
68 ARG ARG ARG ARG SER TRP TYR 0.456693 0.703125
69 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.455782 0.707692
70 TRP GLU GLU LEU 0.454545 0.807692
71 ALA LYS PHE ARG HIS ASP 0.451613 0.762712
72 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.448718 0.671429
73 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.446281 0.690909
74 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.442308 0.661972
75 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.440298 0.714286
76 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.435897 0.734375
77 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.435897 0.671429
78 GLU THR LEU GLU ASP SER VAL PHE 0.433962 0.607143
79 GLU THR LEU LEU ASP LEU ASP PHE LEU GLU 0.433628 0.673077
80 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.433333 0.730159
81 ALA SER ASN GLU ASN TRP GLU THR MET 0.432836 0.714286
82 ASP PHE GLU GLU ILE 0.432432 0.673077
83 LYS ARG TRP ILE ILE MET GLY LEU ASN LYS 0.432258 0.666667
84 MET TYR TRP TYR PRO TYR 0.430657 0.681818
85 SER ARG TYR TRP ALA ILE ARG THR ARG 0.425676 0.676471
86 PRO ALA TRP LEU PHE GLU ALA 0.425532 0.851852
87 THR ASN GLU PHE ALA PHE 0.424779 0.705882
88 SER PRO LEU ASP SER LEU TRP TRP ILE 0.423611 0.727273
89 SER ILE ILE ASN PHE GLU LYS LEU 0.423077 0.65
90 GLU ILE ILE ASN PHE GLU LYS LEU 0.423077 0.666667
91 ASP PHE M3L THR ASP 0.421488 0.615385
92 GLU LEU ASP LYS TYR ALA SER 0.420635 0.677966
93 LYS VAL LEU PHE LEU ASP GLY 0.418033 0.703704
94 THR TYR LYS PHE PHE GLU GLN 0.418033 0.719298
95 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.418033 0.719298
96 LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP 0.417722 0.661765
97 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.417647 0.681159
98 GLU GLN TYR LYS PHE TYR SER VAL 0.417323 0.672131
99 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.413043 0.66129
100 MET LEU ILE TYR SER MET TRP GLY LYS 0.412903 0.701493
101 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.410714 0.642857
102 PCA ASN TRP 0.410256 0.777778
103 LSW 0.410256 0.826923
104 X95 0.410256 0.826923
105 ALA PRO ALA TRP LEU PHE GLU ALA 0.409396 0.754098
106 THR ASN GLU TYR LYS VAL 0.408333 0.684211
107 TYR GLN PHE 0.407407 0.679245
108 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.407407 0.645161
109 SER SER VAL VAL GLY VAL TRP TYR LEU 0.407143 0.75
110 PHE LEU GLU LYS 0.40708 0.711538
111 THR PHE LYS LYS THR ASN 0.40678 0.684211
112 PCA GLN TRP 0.40678 0.807692
113 CYS THR PHE LYS THR LYS THR ASN 0.404959 0.661017
114 TYR TRP ALA ALA ALA ALA 0.404959 0.722222
115 CYS THR GLU LEU LYS LEU SER ASP TYR 0.404412 0.655738
116 LYS HPE LYS 0.403846 0.734694
117 THR LYS ASN TYR LYS GLN PHE SER VAL 0.403101 0.688525
118 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.402778 0.707692
119 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.402685 0.686567
120 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.402597 0.676471
121 GLN GLU GLU TRP SEP THR VAL MET 0.401408 0.652174
122 PHE SER ASP PRO TRP GLY GLY 0.4 0.786885
123 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.4 0.657534
Similar Binding Sites (Proteins are less than 50% similar to leader)
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