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;
Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
Kd = 10 uM
830.876 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 1579 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 1312 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 1130 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: 87
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 0.651376 0.867925
3 GLU ASP ASN ASP TRP ASN 0.639175 0.882353
4 ASP TRP ASN 0.639175 0.882353
5 MET ASN TRP ASN ILE 0.609524 0.886792
6 ALA SER ASN GLU ASN TRP GLU THR MET 0.568 0.761905
7 ACE GLU TRP TRP TRP 0.538462 0.846154
8 ACE ASN TRP GLU THR PHE 0.536585 0.890909
9 LEU LEU GLU LEU ASP LYS TRP ALA NH2 0.531746 0.807018
10 GLU ASN ASP LYS TRP ALA SER 0.527132 0.79661
11 ASP GLU ASP LYS TRP ASP ASP PHE 0.520661 0.803571
12 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.510638 0.877193
13 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.508197 0.75
14 LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP 0.506579 0.757576
15 TRP GLU GLU LEU 0.504587 0.849057
16 GLU ALA ASP LYS TRP GLN SER 0.503817 0.779661
17 MET ASP TRP ASN MET HIS ALA ALA 0.503704 0.830508
18 GLU LEU ASP LYS TRP ALA ASN 0.5 0.859649
19 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.5 0.803279
20 GLU GLN ASP LYS TRP ALA SER 0.5 0.779661
21 SER LEU LEU MET TRP ILE THR GLN VAL 0.496403 0.734375
22 TYR GLU TRP 0.486726 0.781818
23 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.485507 0.875
24 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.485507 0.8
25 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.482269 0.847458
26 GLU LEU ASP LYS TRP ALA GLY 0.480916 0.793103
27 PRO ALA TRP ASP GLU THR ASN LEU 0.478873 0.819672
28 ILE ASP TRP PHE GLU GLY LYS GLU 0.475177 0.79661
29 ILE ASP TRP PHE ASP GLY LYS GLU 0.475177 0.79661
30 SER TRP PHE GLN THR ASP LEU 0.474453 0.844828
31 GLU LEU ASP HOX TRP ALA SER 0.474074 0.813559
32 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.468966 0.790323
33 ALA LEU ASP LYS TRP ASP 0.467742 0.824561
34 TYR TYR GLU SER ASP TRP LEU 0.466667 0.8
35 GLU LEU ASP ORN TRP ALA SER 0.462687 0.79661
36 LEU ASP GLU PTR VAL ALA THR ARG 0.46087 0.645161
37 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.46 0.657534
38 GLU LEU ASP HIS TRP ALA SER 0.459854 0.844828
39 LYS TRP LYS 0.459459 0.75
40 GLU LEU ASP LYS TRP ALA SER 0.459259 0.783333
41 ASP GLU PTR GLU ASN VAL ASP 0.459016 0.666667
42 GLU LEU GLU LYS TRP ALA SER 0.458647 0.766667
43 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.458599 0.714286
44 GLN GLU GLU TRP SEP THR VAL MET 0.453901 0.685714
45 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.452703 0.757576
46 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.451389 0.847458
47 TYR TRP ALA ALA ALA ALA 0.441667 0.763636
48 TRP GLU TYR ILE PRO ASN VAL 0.440789 0.735294
49 ILE ASP TRP PHE ASP GLY LYS ASP 0.439716 0.79661
50 ASP SER TRP LYS ASP GLY CYS TYR 0.438356 0.71875
51 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.436709 0.661972
52 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.433333 0.716418
53 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.432927 0.714286
54 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.431818 0.842105
55 GLU LEU ASP NRG TRP ALA SER 0.428571 0.626667
56 ARG LEU TRP SER 0.428571 0.676923
57 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.428571 0.8
58 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.428571 0.685714
59 THR GLY TYR GLU THR TRP VAL 0.427536 0.8
60 PCA ASN TRP 0.42735 0.867925
61 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.42623 0.8
62 LYS TRP 0.425926 0.714286
63 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.425676 0.890909
64 VAL ASP SER LYS ASN THR SER SER TRP 0.425532 0.816667
65 ALA LEU ASP LYS TRP ALA SER 0.425373 0.783333
66 ALA LEU ASP LYS TRP GLN ASN 0.425197 0.807018
67 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.424837 0.723077
68 ASN GLN DPR TRP GLN 0.422222 0.709677
69 LEU LEU TRP ASN GLY PRO MET ALA VAL 0.420382 0.720588
70 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.419162 0.716418
71 GLY GLU GLU TRP GLY PRO TRP VAL NH2 0.417266 0.746032
72 ASP PHE GLU ASP TYR GLU PHE ASP 0.416667 0.689655
73 SER LEU LEU MET TRP ILE THR GLN ALA 0.413793 0.75
74 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.413333 0.676471
75 GLU PRO GLN ALA PRO TRP MET GLU 0.413333 0.676471
76 ASP PHE GLU GLU ILE 0.412281 0.685185
77 SER LEU LEU MET TRP ILE THR GLN LEU 0.409722 0.75
78 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.409091 0.733333
79 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.408759 0.774194
80 SER LEU LEU MET TRP ILE THR GLN SER 0.406897 0.75
81 ASN ASP TRP LEU LEU PRO SER TYR 0.405063 0.728571
82 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.402878 0.738462
83 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.402685 0.707692
84 SER PRO LEU ASP SER LEU TRP TRP ILE 0.402685 0.735294
85 TYR TYR GLU SER GLY TRP LEU 0.401408 0.758065
86 ALA ASN SER ARG TRP GLN VAL THR ARG VAL 0.4 0.753846
87 PCA GLN TRP 0.4 0.796296
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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