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
821.821 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 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 GLU ASP LYS TRP ASP ASP PHE; Similar ligands found: 96
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 0.642857 0.907407
3 ILE ASP TRP PHE ASP GLY LYS ASP 0.64 0.909091
4 ILE ASP TRP PHE ASP GLY LYS GLU 0.615385 0.909091
5 ILE ASP TRP PHE GLU GLY LYS GLU 0.603053 0.875
6 ASP SER TRP LYS ASP GLY CYS TYR 0.58209 0.847458
7 ALA LEU ASP LYS TRP ALA SER 0.581967 0.859649
8 GLU ASP ASN ASP TRP ASN 0.574257 0.826923
9 GLU ASN ASP LYS TRP ALA SER 0.566929 0.875
10 GLU ALA ASP LYS TRP GLN SER 0.566929 0.890909
11 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.566372 0.719298
12 GLU GLN ASP LYS TRP ALA SER 0.5625 0.890909
13 GLU LEU ASP LYS TRP ALA ASN 0.5625 0.875
14 GLU LEU ASP LYS TRP ALA SER 0.554688 0.859649
15 LYS TRP LYS 0.54717 0.901961
16 LYS TRP 0.544554 0.88
17 GLU LEU ASP LYS TRP ALA GLY 0.543307 0.872727
18 GLU ASN GLN LYS GLU TYR PHE PHE 0.543103 0.754386
19 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.540323 0.925926
20 ACE ASN TRP GLU THR PHE 0.540323 0.775862
21 ALA LEU ASP LYS TRP GLN ASN 0.525 0.888889
22 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.52381 0.803279
23 GLU LEU ASP ORN TRP ALA SER 0.523077 0.842105
24 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.522059 0.844828
25 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.516667 0.803571
26 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.514706 0.872727
27 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.514493 0.775862
28 PCA LYS TRP 0.513043 0.886792
29 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.507463 0.754098
30 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.503145 0.78125
31 ACE GLU TRP TRP TRP 0.5 0.792453
32 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.496454 0.830508
33 TYR GLU TRP 0.491228 0.796296
34 GLY SER ASP PRO TRP LYS 0.488722 0.790323
35 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.488 0.790323
36 GLU LEU GLU LYS TRP ALA SER 0.484848 0.810345
37 MET ASN TRP ASN ILE 0.482456 0.767857
38 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.477419 0.695652
39 ASP TRP ASN 0.477064 0.826923
40 ALA TRP LEU PHE GLU ALA 0.472441 0.796296
41 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.471014 0.774194
42 ASP PHE 0.468085 0.64
43 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.468085 0.733333
44 GLU LEU ASP HOX TRP ALA SER 0.467153 0.79661
45 GLU LEU ASP NRG TRP ALA SER 0.462069 0.657534
46 VAL ASP SER LYS ASN THR SER SER TRP 0.460432 0.830508
47 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.457746 0.761905
48 ALA LEU ASP LEU PHE 0.456311 0.611111
49 VAL GLY LEU TRP LYS SER 0.456 0.789474
50 PRO GLY LEU TRP LYS SER 0.455882 0.839286
51 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.455172 0.830508
52 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.45283 0.765625
53 SER TRP PHE PRO 0.452381 0.774194
54 THR ASN GLU PHE TYR PHE 0.451327 0.678571
55 ALA ALA TRP LEU PHE GLU ALA 0.451128 0.796296
56 GAL TRP LYS TYR LEU PHB 0.45 0.761905
57 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.445122 0.7
58 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.437086 0.716418
59 ASN ASP TRP LEU LEU PRO SER TYR 0.435897 0.714286
60 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.435897 0.738462
61 GLY LEU MET TRP LEU SER TYR PHE VAL 0.434483 0.712121
62 MET ASP TRP ASN MET HIS ALA ALA 0.433566 0.754098
63 GLU LEU ASP HIS TRP ALA SER 0.432624 0.766667
64 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.432 0.696429
65 ARG ARG ARG ARG TRP ARG GLU ARG GLN 0.431818 0.810345
66 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.429577 0.676923
67 ALA LYS PHE ARG HIS ASP 0.428571 0.79661
68 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.428571 0.734375
69 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.427711 0.690141
70 ARG LEU TRP SER 0.421875 0.714286
71 ASP TRP GLU ILE VAL 0.421875 0.781818
72 CYS ASP PTR ALA ASN PHE LYS 0.419643 0.754717
73 ASP ASN TRP GLN ASN GLY THR SER 0.41844 0.810345
74 ASP ALA ASP GLU GLU ASP PHE 0.417391 0.730769
75 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.414773 0.662162
76 GLU THR LEU GLU ASP SER VAL PHE 0.414414 0.631579
77 ALA SER ASN GLU ASN TRP GLU THR MET 0.414286 0.746032
78 ARG VAL LYS GLU LYS TYR GLN HIS LEU TRP 0.414062 0.736842
79 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.413043 0.758065
80 PRO SER ARG TRP 0.412214 0.758065
81 LYS ARG TRP ILE ILE MET GLY LEU ASN LYS 0.412121 0.695652
82 THR ASN GLU TYR LYS VAL 0.41129 0.694915
83 PRO ALA TRP LEU PHE GLU ALA 0.410959 0.857143
84 ALA ASN SER ARG TRP GLN VAL THR ARG VAL 0.409722 0.727273
85 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.408537 0.7
86 PCA ASN TRP 0.408333 0.781818
87 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.407143 0.723077
88 PCA GLN TRP 0.404959 0.811321
89 X95 0.404959 0.865385
90 LSW 0.404959 0.865385
91 MET LEU ILE TYR SER MET TRP GLY LYS 0.404908 0.720588
92 TYR MET TRP ASP GLY TRP TYR MET QJE 0.403846 0.710145
93 TRP LEU PHE VAL GLN ARG ASP SER LYS GLU 0.403361 0.722222
94 THR ASN GLU PHE ALA PHE 0.401709 0.698113
95 THR LYS ASN TYR LYS GLN PHE SER VAL 0.4 0.721311
96 GLY LYS ILE SER LYS HIS TRP THR GLY ILE 0.4 0.777778
Similar Ligands (3D)
Ligand no: 1; Ligand: ASP GLU ASP LYS TRP ASP ASP PHE; 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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